(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide

C14H30N2OS — CID 104908132

IUPAC(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H30N2OS/c1-12(2)8-6-4-5-7-10-16-14(17)13(15)9-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyBOGUAWBWJCYIJN-CYBMUJFWSA-N
MW274.47 g/mol
LogP2.79
Rot. Bonds11

About (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide (PubChem CID 104908132) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
PubChem CID104908132
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H30N2OS/c1-12(2)8-6-4-5-7-10-16-14(17)13(15)9-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyBOGUAWBWJCYIJN-CYBMUJFWSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.79
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

(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
2-amino-3-[[2-amino-3-(15-methylhexadecylamino)-3-oxopropyl]disulfanyl]propanamide
CID 123584235
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119288799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide (CID 104908132) is (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCCCCCCC(C)C.
What is the InChIKey of (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide?
The InChIKey is BOGUAWBWJCYIJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-12(2)8-6-4-5-7-10-16-14(17)13(15)9-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide has a molecular weight of 274.47 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).