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

C13H24ClN5O3S — CID 119469373

IUPACN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(13(19)18-6-4-3-5-11(18)7-14)16-22(20,21)12-8-15-17(2)9-12;/h8-11,16H,3-7,14H2,1-2H3;1H
InChIKeyPCJPUQXRAMOMKB-UHFFFAOYSA-N
MW365.89 g/mol
LogP-0.15
Rot. Bonds5

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

N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 119469373) has the molecular formula C13H24ClN5O3S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID119469373
Molecular FormulaC13H24ClN5O3S
Molecular Weight365.89 g/mol
Exact Mass365.13
IUPAC NameN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(13(19)18-6-4-3-5-11(18)7-14)16-22(20,21)12-8-15-17(2)9-12;/h8-11,16H,3-7,14H2,1-2H3;1H
InChIKeyPCJPUQXRAMOMKB-UHFFFAOYSA-N
XLogP-0.15
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119625024
N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119568070
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119643452
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 122067240
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 119469373) is N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCCC1CN.Cl.
What is the InChIKey of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is PCJPUQXRAMOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S.ClH/c1-10(13(19)18-6-4-3-5-11(18)7-14)16-22(20,21)12-8-15-17(2)9-12;/h8-11,16H,3-7,14H2,1-2H3;1H.
What are the key properties of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119469373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).