N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide

C15H28N2OS — CID 115625436

IUPACN-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
SMILESCC(NCC1CCSCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2OS/c1-12(16-11-13-7-9-19-10-8-13)15(18)17-14-5-3-2-4-6-14/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyVGLUSDYSPIHIRO-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.56
Rot. Bonds5

About N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide

N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide (PubChem CID 115625436) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
PubChem CID115625436
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
SMILESCC(NCC1CCSCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2OS/c1-12(16-11-13-7-9-19-10-8-13)15(18)17-14-5-3-2-4-6-14/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyVGLUSDYSPIHIRO-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-cyclohexyl-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490835
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
N-cyclohexyl-2-(2,2-dimethylpropylamino)propanamide
CID 61168818
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
N-cyclopentyl-2-(2-hydroxypropylamino)propanamide
CID 43389370
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide (CID 115625436) is N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide is CC(NCC1CCSCC1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide?
The InChIKey is VGLUSDYSPIHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(16-11-13-7-9-19-10-8-13)15(18)17-14-5-3-2-4-6-14/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide?
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide has a molecular weight of 284.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide is sourced from PubChem (CID 115625436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).