N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H26N2O3S2 — CID 2053793

IUPACN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O3S2/c20-17(18-15-6-3-1-2-4-7-15)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h5,8,13-15H,1-4,6-7,9-12H2,(H,18,20)
InChIKeyQQQBGQCCAJGDMM-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.99
Rot. Bonds4

About N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2053793) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2053793
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H26N2O3S2/c20-17(18-15-6-3-1-2-4-7-15)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h5,8,13-15H,1-4,6-7,9-12H2,(H,18,20)
InChIKeyQQQBGQCCAJGDMM-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3243927
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 2091610
N-isopropyl-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 3239956
1-{[1-(Thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}azepane
CID 3244621
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-cyclohexyl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330102
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
N-cycloheptyl-3-(thien-2-ylsulfonyl)propanamide
CID 3239248
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4075418

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2053793) is N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is QQQBGQCCAJGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c20-17(18-15-6-3-1-2-4-7-15)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h5,8,13-15H,1-4,6-7,9-12H2,(H,18,20).
What are the key properties of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2053793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).