1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide

C12H18N4O3S — CID 115447728

IUPAC1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1
InChIInChI=1S/C12H18N4O3S/c13-8-12(5-2-6-12)11(17)15-9-3-1-4-10(7-9)16-20(14,18)19/h1,3-4,7,16H,2,5-6,8,13H2,(H,15,17)(H2,14,18,19)
InChIKeyXAWBKRDENBGAMN-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.37
Rot. Bonds5

About 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide (PubChem CID 115447728) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
PubChem CID115447728
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1
InChIInChI=1S/C12H18N4O3S/c13-8-12(5-2-6-12)11(17)15-9-3-1-4-10(7-9)16-20(14,18)19/h1,3-4,7,16H,2,5-6,8,13H2,(H,15,17)(H2,14,18,19)
InChIKeyXAWBKRDENBGAMN-UHFFFAOYSA-N
XLogP0.37
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide (CID 115447728) is 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide is NCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide?
The InChIKey is XAWBKRDENBGAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c13-8-12(5-2-6-12)11(17)15-9-3-1-4-10(7-9)16-20(14,18)19/h1,3-4,7,16H,2,5-6,8,13H2,(H,15,17)(H2,14,18,19).
What are the key properties of 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).