1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

C13H27N3O2S — CID 80553988

IUPAC1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)CS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-11(2)10-19(17,18)16-8-5-13(9-16)15-6-3-12(14)4-7-15/h11-13H,3-10,14H2,1-2H3
InChIKeyHPBGMWAEMWSZQT-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.47
Rot. Bonds4

About 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553988) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553988
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)CS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-11(2)10-19(17,18)16-8-5-13(9-16)15-6-3-12(14)4-7-15/h11-13H,3-10,14H2,1-2H3
InChIKeyHPBGMWAEMWSZQT-UHFFFAOYSA-N
XLogP0.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-(3-chloro-2-methylpropyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 79586240
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959284
1-(2-methylpropyl)-4-(1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 171565498
1-[1-(1-methylpyrrol-3-yl)sulfonylpyrrolidin-3-yl]piperidin-4-amine
CID 80553277
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553988) is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is CC(C)CS(=O)(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is HPBGMWAEMWSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11(2)10-19(17,18)16-8-5-13(9-16)15-6-3-12(14)4-7-15/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 289.44 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).