N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline

C18H29N3O2S — CID 110633806

IUPACN-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
SMILESO=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)NC1CCCC1
InChIInChI=1S/C18H29N3O2S/c22-24(23,19-17-7-1-2-8-17)20-18-11-9-16(10-12-18)6-5-15-21-13-3-4-14-21/h9-12,17,19-20H,1-8,13-15H2
InChIKeyAONZNZCNNGQVIC-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.90
Rot. Bonds8

About N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline

N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 110633806) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID110633806
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
SMILESO=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)NC1CCCC1
InChIInChI=1S/C18H29N3O2S/c22-24(23,19-17-7-1-2-8-17)20-18-11-9-16(10-12-18)6-5-15-21-13-3-4-14-21/h9-12,17,19-20H,1-8,13-15H2
InChIKeyAONZNZCNNGQVIC-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylsulfamoylamino)phenyl]ethanol
CID 114809379
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110633807
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
CID 106911273
N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
CID 110627929
1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110616620
N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline
CID 110628985
4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65023588
(1R)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261523

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline (CID 110633806) is N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline is O=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)NC1CCCC1.
What is the InChIKey of N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is AONZNZCNNGQVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c22-24(23,19-17-7-1-2-8-17)20-18-11-9-16(10-12-18)6-5-15-21-13-3-4-14-21/h9-12,17,19-20H,1-8,13-15H2.
What are the key properties of N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline?
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 351.52 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 110633806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).