[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine

C12H22F2N2O2S — CID 128921134

IUPAC[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)CC1CCCCC1(F)F
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)6-2-1-4-10(12)9-19(17,18)16-7-3-5-11(16)8-15/h10-11H,1-9,15H2
InChIKeyWOMZLFSFQSKVJH-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.56
Rot. Bonds4

About [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine

[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine (PubChem CID 128921134) has the molecular formula C12H22F2N2O2S and a molecular weight of 296.38 g/mol. Its IUPAC name is [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
PubChem CID128921134
Molecular FormulaC12H22F2N2O2S
Molecular Weight296.38 g/mol
Exact Mass296.14
IUPAC Name[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)CC1CCCCC1(F)F
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)6-2-1-4-10(12)9-19(17,18)16-7-3-5-11(16)8-15/h10-11H,1-9,15H2
InChIKeyWOMZLFSFQSKVJH-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine (CID 128921134) is [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)CC1CCCCC1(F)F.
What is the InChIKey of [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The InChIKey is WOMZLFSFQSKVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2S/c13-12(14)6-2-1-4-10(12)9-19(17,18)16-7-3-5-11(16)8-15/h10-11H,1-9,15H2.
What are the key properties of [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
[1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine has a molecular weight of 296.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 128921134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).