2-propan-2-yl-4-sulfanylpentanamide

C8H17NOS — CID 126656807

IUPAC2-propan-2-yl-4-sulfanylpentanamide
SMILESCC(S)CC(C(N)=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-5(2)7(8(9)10)4-6(3)11/h5-7,11H,4H2,1-3H3,(H2,9,10)
InChIKeyMXRRIEOGCJJCOR-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.45
Rot. Bonds4

About 2-propan-2-yl-4-sulfanylpentanamide

2-propan-2-yl-4-sulfanylpentanamide (PubChem CID 126656807) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-propan-2-yl-4-sulfanylpentanamide.

Molecular Properties

Compound Name2-propan-2-yl-4-sulfanylpentanamide
PubChem CID126656807
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-propan-2-yl-4-sulfanylpentanamide
SMILESCC(S)CC(C(N)=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-5(2)7(8(9)10)4-6(3)11/h5-7,11H,4H2,1-3H3,(H2,9,10)
InChIKeyMXRRIEOGCJJCOR-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.45
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

(2R)-4-iodo-2-propan-2-ylpentanamide
CID 89289820
(E,2S,7S)-2,7-di(propan-2-yl)oct-4-enediamide
CID 88590733
4-sulfanyl-2-(2-sulfanylethyl)pentanamide
CID 91107688
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
ethane;4-methyl-2-sulfanylpentanamide
CID 143641948
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
3-carbamoyl-4,5-dimethylhexanoic acid
CID 145216564
(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
CID 88951823
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
2,3-dimethylbutanediamide
CID 55281411

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-sulfanylpentanamide?
The IUPAC name of 2-propan-2-yl-4-sulfanylpentanamide (CID 126656807) is 2-propan-2-yl-4-sulfanylpentanamide.
What is the SMILES notation for 2-propan-2-yl-4-sulfanylpentanamide?
The canonical SMILES for 2-propan-2-yl-4-sulfanylpentanamide is CC(S)CC(C(N)=O)C(C)C.
What is the InChIKey of 2-propan-2-yl-4-sulfanylpentanamide?
The InChIKey is MXRRIEOGCJJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-5(2)7(8(9)10)4-6(3)11/h5-7,11H,4H2,1-3H3,(H2,9,10).
What are the key properties of 2-propan-2-yl-4-sulfanylpentanamide?
2-propan-2-yl-4-sulfanylpentanamide has a molecular weight of 175.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-sulfanylpentanamide is sourced from PubChem (CID 126656807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).