ethane;4-methyl-2-sulfanylpentanamide

C8H19NOS — CID 143641948

IUPACethane;4-methyl-2-sulfanylpentanamide
SMILESCC.CC(C)CC(S)C(N)=O
InChIInChI=1S/C6H13NOS.C2H6/c1-4(2)3-5(9)6(7)8;1-2/h4-5,9H,3H2,1-2H3,(H2,7,8);1-2H3
InChIKeyIKTPWFNZFGBPLS-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.84
Rot. Bonds3

About ethane;4-methyl-2-sulfanylpentanamide

ethane;4-methyl-2-sulfanylpentanamide (PubChem CID 143641948) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;4-methyl-2-sulfanylpentanamide.

Molecular Properties

Compound Nameethane;4-methyl-2-sulfanylpentanamide
PubChem CID143641948
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;4-methyl-2-sulfanylpentanamide
SMILESCC.CC(C)CC(S)C(N)=O
InChIInChI=1S/C6H13NOS.C2H6/c1-4(2)3-5(9)6(7)8;1-2/h4-5,9H,3H2,1-2H3,(H2,7,8);1-2H3
InChIKeyIKTPWFNZFGBPLS-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
CID 145052897
3-amino-2-sulfanylpropanamide
CID 130829110
[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]azanium
CID 7271814
2-chloro-4-methylpentanamide
CID 62224745
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
2-(hydroxyamino)-4-methylpentanamide
CID 14584858
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
2-methoxy-4-methylpentanamide
CID 130746931
2-propan-2-yl-4-sulfanylpentanamide
CID 126656807
2-aminopropanamide;ethane
CID 156828005

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-sulfanylpentanamide?
The IUPAC name of ethane;4-methyl-2-sulfanylpentanamide (CID 143641948) is ethane;4-methyl-2-sulfanylpentanamide.
What is the SMILES notation for ethane;4-methyl-2-sulfanylpentanamide?
The canonical SMILES for ethane;4-methyl-2-sulfanylpentanamide is CC.CC(C)CC(S)C(N)=O.
What is the InChIKey of ethane;4-methyl-2-sulfanylpentanamide?
The InChIKey is IKTPWFNZFGBPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-4(2)3-5(9)6(7)8;1-2/h4-5,9H,3H2,1-2H3,(H2,7,8);1-2H3.
What are the key properties of ethane;4-methyl-2-sulfanylpentanamide?
ethane;4-methyl-2-sulfanylpentanamide has a molecular weight of 177.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-sulfanylpentanamide is sourced from PubChem (CID 143641948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).