2-methyl-N-propan-2-yl-2-sulfanylbutanamide

C8H17NOS — CID 176964784

IUPAC2-methyl-N-propan-2-yl-2-sulfanylbutanamide
SMILESCCC(C)(S)C(=O)NC(C)C
InChIInChI=1S/C8H17NOS/c1-5-8(4,11)7(10)9-6(2)3/h6,11H,5H2,1-4H3,(H,9,10)
InChIKeyJWQSDBWHALMKQL-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.61
Rot. Bonds3

About 2-methyl-N-propan-2-yl-2-sulfanylbutanamide

2-methyl-N-propan-2-yl-2-sulfanylbutanamide (PubChem CID 176964784) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-sulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-sulfanylbutanamide
PubChem CID176964784
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-methyl-N-propan-2-yl-2-sulfanylbutanamide
SMILESCCC(C)(S)C(=O)NC(C)C
InChIInChI=1S/C8H17NOS/c1-5-8(4,11)7(10)9-6(2)3/h6,11H,5H2,1-4H3,(H,9,10)
InChIKeyJWQSDBWHALMKQL-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.61
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

N-butan-2-yl-3-methylbutanamide
CID 234387
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
N-ethyl-3-methyl-3-sulfanylbutanamide
CID 134942812
(2S)-2-fluoro-3-methyl-N-propan-2-ylbutanamide
CID 146342104
Butanamide, N-isopropyl-3-methyl
CID 528608
Butanamide, N-(1-methylpropyl)-
CID 346252
(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide
CID 42627503
N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide
CID 16724647
2-acetamido-N-ethyl-3-methyl-3-sulfanylbutanamide
CID 134964403
3-methyl-2-sulfanyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 105935081
2-fluoro-3-methyl-N-propan-2-ylbutanamide
CID 130743895
3-methyl-N-pentan-3-ylbutanamide
CID 3288914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-sulfanylbutanamide?
The IUPAC name of 2-methyl-N-propan-2-yl-2-sulfanylbutanamide (CID 176964784) is 2-methyl-N-propan-2-yl-2-sulfanylbutanamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-sulfanylbutanamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-sulfanylbutanamide is CCC(C)(S)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-sulfanylbutanamide?
The InChIKey is JWQSDBWHALMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-5-8(4,11)7(10)9-6(2)3/h6,11H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-methyl-N-propan-2-yl-2-sulfanylbutanamide?
2-methyl-N-propan-2-yl-2-sulfanylbutanamide has a molecular weight of 175.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-sulfanylbutanamide is sourced from PubChem (CID 176964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).