(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide

C12H24N2O2S — CID 97027657

IUPAC(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
SMILESCCCCS[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2S/c1-6-7-8-17-10(3)11(15)13-9(2)12(16)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyHVODVJCYNFXYNU-UWVGGRQHSA-N
MW260.40 g/mol
LogP1.50
Rot. Bonds7

About (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide

(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide (PubChem CID 97027657) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
PubChem CID97027657
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
SMILESCCCCS[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2S/c1-6-7-8-17-10(3)11(15)13-9(2)12(16)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyHVODVJCYNFXYNU-UWVGGRQHSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-(2-butylsulfanylpropanoylamino)-3-methylpentanoic acid
CID 119193958
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
methyl 2-(2-butylsulfanylpropanoylamino)-4-methylpentanoate
CID 134037896
(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide
CID 97027546
N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
CID 119496430
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
CID 43578901
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
methyl 2-(2-butylsulfanylpropanoylamino)acetate
CID 134037889
(2S)-2-butylsulfanylpropanoyl chloride
CID 135809761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide (CID 97027657) is (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide is CCCCS[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is HVODVJCYNFXYNU-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-6-7-8-17-10(3)11(15)13-9(2)12(16)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide?
(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 260.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 97027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).