2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide

C17H33N3OS — CID 97230043

IUPAC2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(N[C@H]2CCCC[C@@H]2SC)CC1
InChIInChI=1S/C17H33N3OS/c1-3-10-18-17(21)13-20-11-8-14(9-12-20)19-15-6-4-5-7-16(15)22-2/h14-16,19H,3-13H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyMMCZWJPRKRLQHA-HOTGVXAUSA-N
MW327.54 g/mol
LogP2.24
Rot. Bonds7

About 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide

2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 97230043) has the molecular formula C17H33N3OS and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide
PubChem CID97230043
Molecular FormulaC17H33N3OS
Molecular Weight327.54 g/mol
Exact Mass327.23
IUPAC Name2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(N[C@H]2CCCC[C@@H]2SC)CC1
InChIInChI=1S/C17H33N3OS/c1-3-10-18-17(21)13-20-11-8-14(9-12-20)19-15-6-4-5-7-16(15)22-2/h14-16,19H,3-13H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyMMCZWJPRKRLQHA-HOTGVXAUSA-N
XLogP2.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide with MolForge

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Related Compounds

1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
CID 97323051
2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 60504083
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
2-[4-[[N-ethyl-N'-(2-hydroxyethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111990760
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119853534
tert-butyl 3-[(2-methylsulfanylcyclohexyl)amino]azetidine-1-carboxylate
CID 103788176
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
2-methyl-N-[2-[[N'-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111990748
2-[4-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111992764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide (CID 97230043) is 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(N[C@H]2CCCC[C@@H]2SC)CC1.
What is the InChIKey of 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is MMCZWJPRKRLQHA-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H33N3OS/c1-3-10-18-17(21)13-20-11-8-14(9-12-20)19-15-6-4-5-7-16(15)22-2/h14-16,19H,3-13H2,1-2H3,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 327.54 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 97230043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).