1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine

C14H24N4O2S — CID 80553277

IUPAC1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine
SMILESCn1ccc(S(=O)(=O)N2CCC(N3CCC(N)CC3)C2)c1
InChIInChI=1S/C14H24N4O2S/c1-16-6-5-14(11-16)21(19,20)18-9-4-13(10-18)17-7-2-12(15)3-8-17/h5-6,11-13H,2-4,7-10,15H2,1H3
InChIKeyHSNZPPDAWMVFPB-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.21
Rot. Bonds3

About 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine

1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553277) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553277
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine
SMILESCn1ccc(S(=O)(=O)N2CCC(N3CCC(N)CC3)C2)c1
InChIInChI=1S/C14H24N4O2S/c1-16-6-5-14(11-16)21(19,20)18-9-4-13(10-18)17-7-2-12(15)3-8-17/h5-6,11-13H,2-4,7-10,15H2,1H3
InChIKeyHSNZPPDAWMVFPB-UHFFFAOYSA-N
XLogP0.21
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,7aS)-2-(1-methylpyrrol-3-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598589
N-(cyclopropylmethyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine
CID 115307191
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921
2-(1-methylpyrrol-3-yl)sulfonyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102916
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553988
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
4-fluoro-1-[1-[4-(4-isocyanophenyl)phenyl]sulfonylpyrrolidin-3-yl]piperidine
CID 58324651
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine (CID 80553277) is 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine is Cn1ccc(S(=O)(=O)N2CCC(N3CCC(N)CC3)C2)c1.
What is the InChIKey of 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is HSNZPPDAWMVFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-6-5-14(11-16)21(19,20)18-9-4-13(10-18)17-7-2-12(15)3-8-17/h5-6,11-13H,2-4,7-10,15H2,1H3.
What are the key properties of 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine?
1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).