N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide

C11H15NOS2 — CID 101498961

IUPACN-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S)c(S)c1
InChIInChI=1S/C11H15NOS2/c1-11(2,3)10(13)12-7-4-5-8(14)9(15)6-7/h4-6,14-15H,1-3H3,(H,12,13)
InChIKeyCNWVQUFNTDRABG-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.25
Rot. Bonds1

About N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide

N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 101498961) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide
PubChem CID101498961
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC NameN-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S)c(S)c1
InChIInChI=1S/C11H15NOS2/c1-11(2,3)10(13)12-7-4-5-8(14)9(15)6-7/h4-6,14-15H,1-3H3,(H,12,13)
InChIKeyCNWVQUFNTDRABG-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
2-bromo-5-(2,2-dimethylpropanoylamino)benzoic acid
CID 115295714
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide (CID 101498961) is N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(S)c(S)c1.
What is the InChIKey of N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CNWVQUFNTDRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-11(2,3)10(13)12-7-4-5-8(14)9(15)6-7/h4-6,14-15H,1-3H3,(H,12,13).
What are the key properties of N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide?
N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(sulfanyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 101498961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).