N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide

C15H24N2O3S — CID 115360710

IUPACN-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-17-21(19,20)14-7-5-13(6-8-14)16-11-15(12-18)9-3-4-10-15/h5-8,16-18H,2-4,9-12H2,1H3
InChIKeyKXSUDVVVOWIHSV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.95
Rot. Bonds7

About N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide

N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide (PubChem CID 115360710) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
PubChem CID115360710
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-17-21(19,20)14-7-5-13(6-8-14)16-11-15(12-18)9-3-4-10-15/h5-8,16-18H,2-4,9-12H2,1H3
InChIKeyKXSUDVVVOWIHSV-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
CID 63761185

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide (CID 115360710) is N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1.
What is the InChIKey of N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide?
The InChIKey is KXSUDVVVOWIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-17-21(19,20)14-7-5-13(6-8-14)16-11-15(12-18)9-3-4-10-15/h5-8,16-18H,2-4,9-12H2,1H3.
What are the key properties of N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide?
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 115360710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).