N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine

C14H22N3O2S+ — CID 9282597

IUPACN-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCC2)[nH+]c1)N1CCCC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-9-3-4-10-17)13-7-8-14(15-11-13)16-12-5-1-2-6-12/h7-8,11-12H,1-6,9-10H2,(H,15,16)/p+1
InChIKeyRBOHOEVGDGCGEZ-UHFFFAOYSA-O
MW296.42 g/mol
LogP1.64
Rot. Bonds4

About N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine

N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9282597) has the molecular formula C14H22N3O2S+ and a molecular weight of 296.42 g/mol. Its IUPAC name is N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9282597
Molecular FormulaC14H22N3O2S+
Molecular Weight296.42 g/mol
Exact Mass296.14
IUPAC NameN-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCC2)[nH+]c1)N1CCCC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-9-3-4-10-17)13-7-8-14(15-11-13)16-12-5-1-2-6-12/h7-8,11-12H,1-6,9-10H2,(H,15,16)/p+1
InChIKeyRBOHOEVGDGCGEZ-UHFFFAOYSA-O
XLogP1.64
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9025506
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9281567
2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9251559
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9025296
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine (CID 9282597) is N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine is O=S(=O)(c1ccc(NC2CCCC2)[nH+]c1)N1CCCC1.
What is the InChIKey of N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is RBOHOEVGDGCGEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,17-9-3-4-10-17)13-7-8-14(15-11-13)16-12-5-1-2-6-12/h7-8,11-12H,1-6,9-10H2,(H,15,16)/p+1.
What are the key properties of N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 296.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9282597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).