N-butyl-2-methyl-3-methylsulfanylbutanamide

C10H21NOS — CID 134513305

IUPACN-butyl-2-methyl-3-methylsulfanylbutanamide
SMILESCCCCNC(=O)C(C)C(C)SC
InChIInChI=1S/C10H21NOS/c1-5-6-7-11-10(12)8(2)9(3)13-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyKQJBALKUKZVVNB-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.29
Rot. Bonds6

About N-butyl-2-methyl-3-methylsulfanylbutanamide

N-butyl-2-methyl-3-methylsulfanylbutanamide (PubChem CID 134513305) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-butyl-2-methyl-3-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-3-methylsulfanylbutanamide
PubChem CID134513305
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-butyl-2-methyl-3-methylsulfanylbutanamide
SMILESCCCCNC(=O)C(C)C(C)SC
InChIInChI=1S/C10H21NOS/c1-5-6-7-11-10(12)8(2)9(3)13-4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyKQJBALKUKZVVNB-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-silylpropanamide
CID 123860399
N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
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(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-3-methylsulfanylbutanamide?
The IUPAC name of N-butyl-2-methyl-3-methylsulfanylbutanamide (CID 134513305) is N-butyl-2-methyl-3-methylsulfanylbutanamide.
What is the SMILES notation for N-butyl-2-methyl-3-methylsulfanylbutanamide?
The canonical SMILES for N-butyl-2-methyl-3-methylsulfanylbutanamide is CCCCNC(=O)C(C)C(C)SC.
What is the InChIKey of N-butyl-2-methyl-3-methylsulfanylbutanamide?
The InChIKey is KQJBALKUKZVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-6-7-11-10(12)8(2)9(3)13-4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-butyl-2-methyl-3-methylsulfanylbutanamide?
N-butyl-2-methyl-3-methylsulfanylbutanamide has a molecular weight of 203.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-3-methylsulfanylbutanamide is sourced from PubChem (CID 134513305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).