N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C20H30N2OS2 — CID 91813106

IUPACN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1CCN(C2CCSC2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H30N2OS2/c23-19(20(8-1-2-9-20)18-4-3-12-25-18)21-14-16-5-10-22(11-6-16)17-7-13-24-15-17/h3-4,12,16-17H,1-2,5-11,13-15H2,(H,21,23)
InChIKeyVSOKYTCHLQFFOW-UHFFFAOYSA-N
MW378.61 g/mol
LogP3.89
Rot. Bonds5

About N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 91813106) has the molecular formula C20H30N2OS2 and a molecular weight of 378.61 g/mol. Its IUPAC name is N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID91813106
Molecular FormulaC20H30N2OS2
Molecular Weight378.61 g/mol
Exact Mass378.18
IUPAC NameN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1CCN(C2CCSC2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H30N2OS2/c23-19(20(8-1-2-9-20)18-4-3-12-25-18)21-14-16-5-10-22(11-6-16)17-7-13-24-15-17/h3-4,12,16-17H,1-2,5-11,13-15H2,(H,21,23)
InChIKeyVSOKYTCHLQFFOW-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-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-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91814099
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71786595
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 91624185
N'-(1-phenylethyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624154
2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681688
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
N'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 91813106) is N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC1CCN(C2CCSC2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is VSOKYTCHLQFFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS2/c23-19(20(8-1-2-9-20)18-4-3-12-25-18)21-14-16-5-10-22(11-6-16)17-7-13-24-15-17/h3-4,12,16-17H,1-2,5-11,13-15H2,(H,21,23).
What are the key properties of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 378.61 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91813106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).