N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide

C14H22N2O2S — CID 106911358

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11(2)10-19(17,18)16-14-5-3-4-12(8-14)9-15-13-6-7-13/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3
InChIKeyZWTVDNQVPGWCDH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.34
Rot. Bonds7

About N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide

N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 106911358) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
PubChem CID106911358
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11(2)10-19(17,18)16-14-5-3-4-12(8-14)9-15-13-6-7-13/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3
InChIKeyZWTVDNQVPGWCDH-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
CID 114284812
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911370
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide (CID 106911358) is N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is ZWTVDNQVPGWCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)10-19(17,18)16-14-5-3-4-12(8-14)9-15-13-6-7-13/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide?
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106911358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).