N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

C13H20N2O3S2 — CID 3245282

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1
InChIInChI=1S/C13H20N2O3S2/c16-12(15-9-3-1-2-4-10-15)7-8-14-20(17,18)13-6-5-11-19-13/h5-6,11,14H,1-4,7-10H2
InChIKeyBBNAMJBRRFARQZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.82
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 3245282) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID3245282
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1
InChIInChI=1S/C13H20N2O3S2/c16-12(15-9-3-1-2-4-10-15)7-8-14-20(17,18)13-6-5-11-19-13/h5-6,11,14H,1-4,7-10H2
InChIKeyBBNAMJBRRFARQZ-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (CID 3245282) is N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is BBNAMJBRRFARQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c16-12(15-9-3-1-2-4-10-15)7-8-14-20(17,18)13-6-5-11-19-13/h5-6,11,14H,1-4,7-10H2.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3245282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).