1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine

C13H26N4O2S — CID 80553921

IUPAC1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(S(=O)(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C13H26N4O2S/c14-12-3-8-15(9-4-12)13-5-10-17(11-13)20(18,19)16-6-1-2-7-16/h12-13H,1-11,14H2
InChIKeyPVQWWHCPJCNIGL-UHFFFAOYSA-N
MW302.44 g/mol
LogP-0.18
Rot. Bonds3

About 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine

1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80553921) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80553921
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(S(=O)(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C13H26N4O2S/c14-12-3-8-15(9-4-12)13-5-10-17(11-13)20(18,19)16-6-1-2-7-16/h12-13H,1-11,14H2
InChIKeyPVQWWHCPJCNIGL-UHFFFAOYSA-N
XLogP-0.18
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
CID 63170432
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553988
[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol
CID 176895165
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
CID 61243717
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine (CID 80553921) is 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine is NC1CCN(C2CCN(S(=O)(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is PVQWWHCPJCNIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c14-12-3-8-15(9-4-12)13-5-10-17(11-13)20(18,19)16-6-1-2-7-16/h12-13H,1-11,14H2.
What are the key properties of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 302.44 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80553921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).