2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

C16H26N2OS2 — CID 94819206

IUPAC2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESCCCSCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C16H26N2OS2/c1-2-8-20-13-16(19)17-10-14-5-3-7-18(11-14)12-15-6-4-9-21-15/h4,6,9,14H,2-3,5,7-8,10-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyMSEKYFMSFIMLRM-AWEZNQCLSA-N
MW326.53 g/mol
LogP3.22
Rot. Bonds8

About 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (PubChem CID 94819206) has the molecular formula C16H26N2OS2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
PubChem CID94819206
Molecular FormulaC16H26N2OS2
Molecular Weight326.53 g/mol
Exact Mass326.15
IUPAC Name2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESCCCSCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C16H26N2OS2/c1-2-8-20-13-16(19)17-10-14-5-3-7-18(11-14)12-15-6-4-9-21-15/h4,6,9,14H,2-3,5,7-8,10-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyMSEKYFMSFIMLRM-AWEZNQCLSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide 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

(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
CID 49214789
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 98794620
1-(1-hydroxybutan-2-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 110910670
3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215262
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (CID 94819206) is 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is CCCSCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1.
What is the InChIKey of 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is MSEKYFMSFIMLRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2OS2/c1-2-8-20-13-16(19)17-10-14-5-3-7-18(11-14)12-15-6-4-9-21-15/h4,6,9,14H,2-3,5,7-8,10-13H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 326.53 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 94819206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).