N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

C15H28ClN5O3S — CID 119535173

IUPACN-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-10-14(12(3)20(4)18-10)24(22,23)19-11(2)15(21)17-8-6-13-5-7-16-9-13;/h11,13,16,19H,5-9H2,1-4H3,(H,17,21);1H
InChIKeyHOHOMACCYROWFM-UHFFFAOYSA-N
MW393.94 g/mol
LogP0.24
Rot. Bonds7

About N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119535173) has the molecular formula C15H28ClN5O3S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119535173
Molecular FormulaC15H28ClN5O3S
Molecular Weight393.94 g/mol
Exact Mass393.16
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-10-14(12(3)20(4)18-10)24(22,23)19-11(2)15(21)17-8-6-13-5-7-16-9-13;/h11,13,16,19H,5-9H2,1-4H3,(H,17,21);1H
InChIKeyHOHOMACCYROWFM-UHFFFAOYSA-N
XLogP0.24
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 120555090
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119531042
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119538066
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461302
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119415813

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119535173) is N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is HOHOMACCYROWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S.ClH/c1-10-14(12(3)20(4)18-10)24(22,23)19-11(2)15(21)17-8-6-13-5-7-16-9-13;/h11,13,16,19H,5-9H2,1-4H3,(H,17,21);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119535173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).