(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide

C14H28N2OS — CID 81393379

IUPAC(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2OS/c1-11(12-7-5-3-4-6-8-12)16-14(17)13(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyYKRNBLTYEYDRFW-YPMHNXCESA-N
MW272.46 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide (PubChem CID 81393379) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
PubChem CID81393379
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2OS/c1-11(12-7-5-3-4-6-8-12)16-14(17)13(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyYKRNBLTYEYDRFW-YPMHNXCESA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119850474
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
CID 76892242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide (CID 81393379) is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide?
The InChIKey is YKRNBLTYEYDRFW-YPMHNXCESA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(12-7-5-3-4-6-8-12)16-14(17)13(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide has a molecular weight of 272.46 g/mol, XLogP of 2.54, 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-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 81393379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).