5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C15H22ClN3O3S2 — CID 119624431

IUPAC5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H22ClN3O3S2/c16-13-3-4-15(23-13)24(21,22)18-10-14(20)19-7-5-12(6-8-19)17-9-11-1-2-11/h3-4,11-12,17-18H,1-2,5-10H2
InChIKeyOOPVTMXWNLPMSB-UHFFFAOYSA-N
MW391.95 g/mol
LogP1.67
Rot. Bonds7

About 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 119624431) has the molecular formula C15H22ClN3O3S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID119624431
Molecular FormulaC15H22ClN3O3S2
Molecular Weight391.95 g/mol
Exact Mass391.08
IUPAC Name5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H22ClN3O3S2/c16-13-3-4-15(23-13)24(21,22)18-10-14(20)19-7-5-12(6-8-19)17-9-11-1-2-11/h3-4,11-12,17-18H,1-2,5-10H2
InChIKeyOOPVTMXWNLPMSB-UHFFFAOYSA-N
XLogP1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 119624431) is 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is OOPVTMXWNLPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S2/c16-13-3-4-15(23-13)24(21,22)18-10-14(20)19-7-5-12(6-8-19)17-9-11-1-2-11/h3-4,11-12,17-18H,1-2,5-10H2.
What are the key properties of 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 391.95 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119624431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).