(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide

C11H24N2OS — CID 104906933

IUPAC(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2OS/c1-5-7-13(9(2)3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1
InChIKeyVQGNLTPUKRLSKN-SNVBAGLBSA-N
MW232.39 g/mol
LogP1.71
Rot. Bonds7

About (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide

(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide (PubChem CID 104906933) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
PubChem CID104906933
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2OS/c1-5-7-13(9(2)3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1
InChIKeyVQGNLTPUKRLSKN-SNVBAGLBSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
CID 104908902
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide (CID 104906933) is (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide is CCCN(C(=O)[C@H](N)CCSC)C(C)C.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide?
The InChIKey is VQGNLTPUKRLSKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-7-13(9(2)3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide?
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide is sourced from PubChem (CID 104906933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).