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

C13H25N3O2S — CID 80553987

IUPAC1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(S(=O)(=O)CC3CC3)C2)CC1
InChIInChI=1S/C13H25N3O2S/c14-12-3-6-15(7-4-12)13-5-8-16(9-13)19(17,18)10-11-1-2-11/h11-13H,1-10,14H2
InChIKeyUEECRPAHNLVLTG-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.22
Rot. Bonds4

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

1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553987) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553987
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(S(=O)(=O)CC3CC3)C2)CC1
InChIInChI=1S/C13H25N3O2S/c14-12-3-6-15(7-4-12)13-5-8-16(9-13)19(17,18)10-11-1-2-11/h11-13H,1-10,14H2
InChIKeyUEECRPAHNLVLTG-UHFFFAOYSA-N
XLogP0.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553987) is 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(S(=O)(=O)CC3CC3)C2)CC1.
What is the InChIKey of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is UEECRPAHNLVLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c14-12-3-6-15(7-4-12)13-5-8-16(9-13)19(17,18)10-11-1-2-11/h11-13H,1-10,14H2.
What are the key properties of 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).