N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C12H19N3O4S2 — CID 120944970

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCC1CNCC1O
InChIInChI=1S/C12H19N3O4S2/c1-8(15-21(18,19)11-3-2-4-20-11)12(17)14-6-9-5-13-7-10(9)16/h2-4,8-10,13,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyQBCLRMLTLXVGEK-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.89
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 120944970) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID120944970
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCC1CNCC1O
InChIInChI=1S/C12H19N3O4S2/c1-8(15-21(18,19)11-3-2-4-20-11)12(17)14-6-9-5-13-7-10(9)16/h2-4,8-10,13,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyQBCLRMLTLXVGEK-UHFFFAOYSA-N
XLogP-0.89
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120944367
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230364
4-[[2-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542107
N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 119610735
N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119544649
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 120944970) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is QBCLRMLTLXVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-8(15-21(18,19)11-3-2-4-20-11)12(17)14-6-9-5-13-7-10(9)16/h2-4,8-10,13,15-16H,5-7H2,1H3,(H,14,17).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 333.44 g/mol, XLogP of -0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 120944970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).