N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide

C17H26N2O3S2 — CID 3245683

IUPACN-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C17H26N2O3S2/c20-17(19-10-2-1-3-11-19)15-8-6-14(7-9-15)13-18-24(21,22)16-5-4-12-23-16/h4-5,12,14-15,18H,1-3,6-11,13H2
InChIKeyIKABZWQVMQKXSQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.85
Rot. Bonds5

About N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide

N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide (PubChem CID 3245683) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide
PubChem CID3245683
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C17H26N2O3S2/c20-17(19-10-2-1-3-11-19)15-8-6-14(7-9-15)13-18-24(21,22)16-5-4-12-23-16/h4-5,12,14-15,18H,1-3,6-11,13H2
InChIKeyIKABZWQVMQKXSQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide (CID 3245683) is N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide is O=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCCCC1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The InChIKey is IKABZWQVMQKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c20-17(19-10-2-1-3-11-19)15-8-6-14(7-9-15)13-18-24(21,22)16-5-4-12-23-16/h4-5,12,14-15,18H,1-3,6-11,13H2.
What are the key properties of N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide has a molecular weight of 370.54 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3245683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).