N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide

C9H14N2O3S — CID 21097532

IUPACN-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1CN
InChIInChI=1S/C9H14N2O3S/c1-14-9-5-8(11-15(2,12)13)4-3-7(9)6-10/h3-5,11H,6,10H2,1-2H3
InChIKeyPZEYRYWESQSJOM-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.53
Rot. Bonds4

About N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide

N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide (PubChem CID 21097532) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
PubChem CID21097532
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1CN
InChIInChI=1S/C9H14N2O3S/c1-14-9-5-8(11-15(2,12)13)4-3-7(9)6-10/h3-5,11H,6,10H2,1-2H3
InChIKeyPZEYRYWESQSJOM-UHFFFAOYSA-N
XLogP0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
CID 130392131
N-[3-[bis[(2-bromophenyl)methyl]amino]-4-methoxyphenyl]methanesulfonamide
CID 18512101

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide (CID 21097532) is N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1CN.
What is the InChIKey of N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide?
The InChIKey is PZEYRYWESQSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-14-9-5-8(11-15(2,12)13)4-3-7(9)6-10/h3-5,11H,6,10H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide?
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 21097532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).