N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide

C16H26N2O3S2 — CID 50777544

IUPACN-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C16H26N2O3S2/c1-5-16(3,4)17-23(20,21)14-10-13(11-22-14)15(19)18-8-6-12(2)7-9-18/h10-12,17H,5-9H2,1-4H3
InChIKeyATWCTPZXTWCLQM-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.09
Rot. Bonds5

About N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide

N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777544) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777544
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC NameN-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C16H26N2O3S2/c1-5-16(3,4)17-23(20,21)14-10-13(11-22-14)15(19)18-8-6-12(2)7-9-18/h10-12,17H,5-9H2,1-4H3
InChIKeyATWCTPZXTWCLQM-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777544) is N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)cs1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is ATWCTPZXTWCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-5-16(3,4)17-23(20,21)14-10-13(11-22-14)15(19)18-8-6-12(2)7-9-18/h10-12,17H,5-9H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 358.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).