2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

C16H29N3O2S — CID 100907056

IUPAC2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCC1CCCC[C@@H]1NC(=O)NC(=O)CN1CCS[C@@H](C)[C@@H]1C
InChIInChI=1S/C16H29N3O2S/c1-11-6-4-5-7-14(11)17-16(21)18-15(20)10-19-8-9-22-13(3)12(19)2/h11-14H,4-10H2,1-3H3,(H2,17,18,20,21)/t11?,12-,13-,14-/m0/s1
InChIKeyNGSBHQVHRJSKRX-LNIMBWABSA-N
MW327.49 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 100907056) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID100907056
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCC1CCCC[C@@H]1NC(=O)NC(=O)CN1CCS[C@@H](C)[C@@H]1C
InChIInChI=1S/C16H29N3O2S/c1-11-6-4-5-7-14(11)17-16(21)18-15(20)10-19-8-9-22-13(3)12(19)2/h11-14H,4-10H2,1-3H3,(H2,17,18,20,21)/t11?,12-,13-,14-/m0/s1
InChIKeyNGSBHQVHRJSKRX-LNIMBWABSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]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

N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
methyl (2S)-4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thiomorpholine-2-carboxylate
CID 8549747
2-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 96538170
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 124777937
2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 124864665
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97099778
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 126802183
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 100907056) is 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is CC1CCCC[C@@H]1NC(=O)NC(=O)CN1CCS[C@@H](C)[C@@H]1C.
What is the InChIKey of 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is NGSBHQVHRJSKRX-LNIMBWABSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-11-6-4-5-7-14(11)17-16(21)18-15(20)10-19-8-9-22-13(3)12(19)2/h11-14H,4-10H2,1-3H3,(H2,17,18,20,21)/t11?,12-,13-,14-/m0/s1.
What are the key properties of 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 327.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 100907056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).