N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide

C15H24N2O2S2 — CID 115677515

IUPACN,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCSC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2S2/c1-12(16-14-5-4-10-20-11-14)13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyFZCUWZZSTHPWCF-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.48
Rot. Bonds5

About N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide (PubChem CID 115677515) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide
PubChem CID115677515
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCSC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2S2/c1-12(16-14-5-4-10-20-11-14)13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyFZCUWZZSTHPWCF-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608
N-[1-[4-(trifluoromethyl)phenyl]ethyl]thian-3-amine
CID 62872906
4-[(1S)-1-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 97314700
N-[1-(3-nitrophenyl)ethyl]thian-3-amine
CID 62873648
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[1-[4-(triazol-1-yl)phenyl]ethyl]thian-3-amine
CID 86787591
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-[1-(2-chlorophenyl)ethyl]thian-3-amine
CID 62873606
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide (CID 115677515) is N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide is CC(NC1CCCSC1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide?
The InChIKey is FZCUWZZSTHPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-12(16-14-5-4-10-20-11-14)13-6-8-15(9-7-13)21(18,19)17(2)3/h6-9,12,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(thian-3-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115677515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).