(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide

C12H24N2OS — CID 104906920

IUPAC(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H24N2OS/c1-16-9-8-11(13)12(15)14-10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyKOPYQJCJNIOTRA-LLVKDONJSA-N
MW244.40 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide (PubChem CID 104906920) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
PubChem CID104906920
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H24N2OS/c1-16-9-8-11(13)12(15)14-10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyKOPYQJCJNIOTRA-LLVKDONJSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide (CID 104906920) is (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC1CCCCCC1.
What is the InChIKey of (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide?
The InChIKey is KOPYQJCJNIOTRA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-16-9-8-11(13)12(15)14-10-6-4-2-3-5-7-10/h10-11H,2-9,13H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide has a molecular weight of 244.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).