(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide

C11H24N2OS — CID 104906715

IUPAC(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h10H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyRVLAPCZVKKCTMN-SNVBAGLBSA-N
MW232.39 g/mol
LogP1.72
Rot. Bonds8

About (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide

(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide (PubChem CID 104906715) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
PubChem CID104906715
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h10H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyRVLAPCZVKKCTMN-SNVBAGLBSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
CID 104908902
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 142536844
(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
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide (CID 104906715) is (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide is CCCN(CCC)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide?
The InChIKey is RVLAPCZVKKCTMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-7-13(8-5-2)11(14)10(12)6-9-15-3/h10H,4-9,12H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide?
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.72, 8 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,N-dipropylbutanamide is sourced from PubChem (CID 104906715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).