(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide

C7H15NOS — CID 163905710

IUPAC(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NCS
InChIInChI=1S/C7H15NOS/c1-5(2)6(3)7(9)8-4-10/h5-6,10H,4H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyQNSLLHGTQMXHCI-ZCFIWIBFSA-N
MW161.27 g/mol
LogP1.28
Rot. Bonds3

About (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide

(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide (PubChem CID 163905710) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
PubChem CID163905710
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NCS
InChIInChI=1S/C7H15NOS/c1-5(2)6(3)7(9)8-4-10/h5-6,10H,4H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyQNSLLHGTQMXHCI-ZCFIWIBFSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
2-sulfanyl-N-(sulfanylmethyl)butanamide
CID 86074601
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115364703
N-(6-bromohexyl)-2,3-dimethylbutanamide
CID 107847756
N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
CID 103493307
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide
CID 81430946
2-sulfanyl-N-(sulfanylmethyl)pentanamide
CID 86074625
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
CID 115456092
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
CID 107156655

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide?
The IUPAC name of (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide (CID 163905710) is (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide.
What is the SMILES notation for (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide?
The canonical SMILES for (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide is CC(C)[C@@H](C)C(=O)NCS.
What is the InChIKey of (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide?
The InChIKey is QNSLLHGTQMXHCI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NOS/c1-5(2)6(3)7(9)8-4-10/h5-6,10H,4H2,1-3H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide?
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide has a molecular weight of 161.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide is sourced from PubChem (CID 163905710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).