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

C14H24N2O2S2 — CID 2317329

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)(CN1CCCCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-14(2,12-16-9-5-3-4-6-10-16)15-20(17,18)13-8-7-11-19-13/h7-8,11,15H,3-6,9-10,12H2,1-2H3
InChIKeyFOSCTQYZTLSTEZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.68
Rot. Bonds5

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

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 2317329) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID2317329
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)(CN1CCCCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-14(2,12-16-9-5-3-4-6-10-16)15-20(17,18)13-8-7-11-19-13/h7-8,11,15H,3-6,9-10,12H2,1-2H3
InChIKeyFOSCTQYZTLSTEZ-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide (CID 2317329) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide is CC(C)(CN1CCCCCC1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is FOSCTQYZTLSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-14(2,12-16-9-5-3-4-6-10-16)15-20(17,18)13-8-7-11-19-13/h7-8,11,15H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2317329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).