N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride

C16H28ClN5O3S — CID 119625024

IUPACN-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H27N5O3S.ClH/c1-12(19-25(23,24)15-10-18-20(2)11-15)16(22)21-7-5-14(6-8-21)17-9-13-3-4-13;/h10-14,17,19H,3-9H2,1-2H3;1H
InChIKeyKBLFLMBGWAKZTM-UHFFFAOYSA-N
MW405.95 g/mol
LogP0.50
Rot. Bonds7

About N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride

N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 119625024) has the molecular formula C16H28ClN5O3S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID119625024
Molecular FormulaC16H28ClN5O3S
Molecular Weight405.95 g/mol
Exact Mass405.16
IUPAC NameN-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H27N5O3S.ClH/c1-12(19-25(23,24)15-10-18-20(2)11-15)16(22)21-7-5-14(6-8-21)17-9-13-3-4-13;/h10-14,17,19H,3-9H2,1-2H3;1H
InChIKeyKBLFLMBGWAKZTM-UHFFFAOYSA-N
XLogP0.50
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-one;hydrochloride
CID 119622483
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 81482925
2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 122067240

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 119625024) is N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is KBLFLMBGWAKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S.ClH/c1-12(19-25(23,24)15-10-18-20(2)11-15)16(22)21-7-5-14(6-8-21)17-9-13-3-4-13;/h10-14,17,19H,3-9H2,1-2H3;1H.
What are the key properties of N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119625024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).