(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide

C14H28N2OS — CID 70436273

IUPAC(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NCCCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2OS/c1-18-11-9-13(14(15)17)16-10-5-8-12-6-3-2-4-7-12/h12-13,16H,2-11H2,1H3,(H2,15,17)/t13-/m1/s1
InChIKeyHLLQTPMTQFEVDT-CYBMUJFWSA-N
MW272.46 g/mol
LogP2.54
Rot. Bonds9

About (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide

(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide (PubChem CID 70436273) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
PubChem CID70436273
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NCCCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2OS/c1-18-11-9-13(14(15)17)16-10-5-8-12-6-3-2-4-7-12/h12-13,16H,2-11H2,1H3,(H2,15,17)/t13-/m1/s1
InChIKeyHLLQTPMTQFEVDT-CYBMUJFWSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177233
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
2-(2-cyclobutylethylamino)butanamide
CID 115688602
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103089081
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide (CID 70436273) is (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide is CSCC[C@@H](NCCCC1CCCCC1)C(N)=O.
What is the InChIKey of (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide?
The InChIKey is HLLQTPMTQFEVDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-18-11-9-13(14(15)17)16-10-5-8-12-6-3-2-4-7-12/h12-13,16H,2-11H2,1H3,(H2,15,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide?
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide has a molecular weight of 272.46 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide is sourced from PubChem (CID 70436273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).