5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide

C14H23N3O3S — CID 115358015

IUPAC5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
SMILESCc1c(NCC2(CO)CCCC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-12(6-11(15)7-13(10)21(16,19)20)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,15H2,1H3,(H2,16,19,20)
InChIKeyNFLIAWKVZNAVSH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.19
Rot. Bonds5

About 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide

5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide (PubChem CID 115358015) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
PubChem CID115358015
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
SMILESCc1c(NCC2(CO)CCCC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-12(6-11(15)7-13(10)21(16,19)20)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,15H2,1H3,(H2,16,19,20)
InChIKeyNFLIAWKVZNAVSH-UHFFFAOYSA-N
XLogP1.19
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
CID 79896644
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-3-[(3-hydroxycyclobutyl)methylamino]-2-methylbenzenesulfonamide
CID 79904586
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide (CID 115358015) is 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide is Cc1c(NCC2(CO)CCCC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide?
The InChIKey is NFLIAWKVZNAVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-12(6-11(15)7-13(10)21(16,19)20)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,15H2,1H3,(H2,16,19,20).
What are the key properties of 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide?
5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 115358015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).