2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide

C12H20N4O3S — CID 65225216

IUPAC2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H20N4O3S/c1-2-4-9(8-13)12(17)15-10-5-3-6-11(7-10)16-20(14,18)19/h3,5-7,9,16H,2,4,8,13H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyILCQIWSTAWPBKF-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.62
Rot. Bonds7

About 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide

2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide (PubChem CID 65225216) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
PubChem CID65225216
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H20N4O3S/c1-2-4-9(8-13)12(17)15-10-5-3-6-11(7-10)16-20(14,18)19/h3,5-7,9,16H,2,4,8,13H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyILCQIWSTAWPBKF-UHFFFAOYSA-N
XLogP0.62
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
CID 17296409
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt
CID 155747938
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide (CID 65225216) is 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide is CCCC(CN)C(=O)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide?
The InChIKey is ILCQIWSTAWPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-4-9(8-13)12(17)15-10-5-3-6-11(7-10)16-20(14,18)19/h3,5-7,9,16H,2,4,8,13H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide?
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide has a molecular weight of 300.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide is sourced from PubChem (CID 65225216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).