3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide

C10H21NO3S2 — CID 107032215

IUPAC3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S2/c1-7(2)8(15)9(12)11-6-10(3,4)16(5,13)14/h7-8,15H,6H2,1-5H3,(H,11,12)
InChIKeyCOKDGOSPNXZWRW-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.88
Rot. Bonds5

About 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide

3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide (PubChem CID 107032215) has the molecular formula C10H21NO3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
PubChem CID107032215
Molecular FormulaC10H21NO3S2
Molecular Weight267.42 g/mol
Exact Mass267.10
IUPAC Name3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S2/c1-7(2)8(15)9(12)11-6-10(3,4)16(5,13)14/h7-8,15H,6H2,1-5H3,(H,11,12)
InChIKeyCOKDGOSPNXZWRW-UHFFFAOYSA-N
XLogP0.88
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
2-bromo-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79563378
3-methyl-N-(2-methylsulfonylethyl)-2-sulfanylbutanamide
CID 107023632
2-carbamothioyl-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79550769
3-methyl-2-sulfanyl-N-(2,3,3-trimethylbutyl)butanamide
CID 107034108
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
N-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]propanamide
CID 79551761
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide (CID 107032215) is 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide is CC(C)C(S)C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide?
The InChIKey is COKDGOSPNXZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S2/c1-7(2)8(15)9(12)11-6-10(3,4)16(5,13)14/h7-8,15H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide?
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide has a molecular weight of 267.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide is sourced from PubChem (CID 107032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).