(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide

C17H32N2OS — CID 104906791

IUPAC(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2OS/c1-21-13-12-16(18)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-16H,2-13,18H2,1H3/t16-/m1/s1
InChIKeyDKYAGPDVPAPTFT-MRXNPFEDSA-N
MW312.52 g/mol
LogP3.56
Rot. Bonds6

About (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide

(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide (PubChem CID 104906791) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
PubChem CID104906791
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2OS/c1-21-13-12-16(18)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-16H,2-13,18H2,1H3/t16-/m1/s1
InChIKeyDKYAGPDVPAPTFT-MRXNPFEDSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
(2S)-2-amino-N,N-dicyclohexylpentanamide
CID 107568011
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
CID 61164338
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2R)-2-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylsulfanylbutanamide
CID 104907713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide (CID 104906791) is (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide?
The InChIKey is DKYAGPDVPAPTFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-21-13-12-16(18)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-16H,2-13,18H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide has a molecular weight of 312.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).