N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide

C16H26N2O2S — CID 62862419

IUPACN-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17-2)14-9-6-10-15(11-14)21(19,20)18(3)12-13-7-5-8-13/h6,9-11,13,16-17H,4-5,7-8,12H2,1-3H3
InChIKeyMTLIDVKSNZXNIG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.78
Rot. Bonds7

About N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide

N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide (PubChem CID 62862419) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
PubChem CID62862419
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17-2)14-9-6-10-15(11-14)21(19,20)18(3)12-13-7-5-8-13/h6,9-11,13,16-17H,4-5,7-8,12H2,1-3H3
InChIKeyMTLIDVKSNZXNIG-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873418

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide (CID 62862419) is N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)N(C)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The InChIKey is MTLIDVKSNZXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(17-2)14-9-6-10-15(11-14)21(19,20)18(3)12-13-7-5-8-13/h6,9-11,13,16-17H,4-5,7-8,12H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 62862419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).