N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide

C14H24N2O2S — CID 60872266

IUPACN-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-6-14(15-4)12-8-7-9-13(10-12)19(17,18)16(5)11(2)3/h7-11,14-15H,6H2,1-5H3
InChIKeyNJCVKRHVYYEWBD-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.39
Rot. Bonds6

About N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 60872266) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID60872266
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-6-14(15-4)12-8-7-9-13(10-12)19(17,18)16(5)11(2)3/h7-11,14-15H,6H2,1-5H3
InChIKeyNJCVKRHVYYEWBD-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986124
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide (CID 60872266) is N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NJCVKRHVYYEWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-14(15-4)12-8-7-9-13(10-12)19(17,18)16(5)11(2)3/h7-11,14-15H,6H2,1-5H3.
What are the key properties of N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60872266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).