(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide

C15H30N2OS — CID 18655778

IUPAC(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H30N2OS/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-19-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12?,13-,15?/m0/s1
InChIKeySJEWYMMBOQNDHZ-OWYJLGKBSA-N
MW286.49 g/mol
LogP2.79
Rot. Bonds6

About (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide (PubChem CID 18655778) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide
PubChem CID18655778
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H30N2OS/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-19-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12?,13-,15?/m0/s1
InChIKeySJEWYMMBOQNDHZ-OWYJLGKBSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 61180467
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 104907410
(2S)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119277352
2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 14208589
(2R)-2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 14208590
(2S)-N-(3-methyl-3-propan-2-ylcyclohexyl)-2-(2-methylprop-2-enoylamino)-4-methylsulfanylbutanamide
CID 18654762
tert-butyl N-[(2S)-1-[(3-methyl-3-propan-2-ylcyclohexyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 18655781
(2S)-2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
CID 18655787
(2R)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-3-sulfanylpropanamide
CID 53877855
(2S)-2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-[(R)-methylsulfinyl]butanamide
CID 57109863
2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
CID 57141560
(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-[(R)-methylsulfinyl]butanamide
CID 57287618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide (CID 18655778) is (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1CCCC(C)(C(C)C)C1.
What is the InChIKey of (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide?
The InChIKey is SJEWYMMBOQNDHZ-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-19-4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12?,13-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide has a molecular weight of 286.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 18655778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).