2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

C9H16F3NO2S — CID 103372551

IUPAC2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)7(5-13)6-16(14,15)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyJFTJOHMXKRPSDD-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds4

About 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372551) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372551
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)7(5-13)6-16(14,15)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyJFTJOHMXKRPSDD-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfonyl]propan-1-amine
CID 58684090
3-(5,5,5-Trifluoropentylsulfonyl)propan-1-amine
CID 86696841
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
4-(5,5,5-Trifluoropentylsulfonyl)butan-2-amine
CID 141321219
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
5,5-Difluoro-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 142791543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372551) is 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)(=O)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is JFTJOHMXKRPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)7(5-13)6-16(14,15)8-3-1-2-4-8/h7-8H,1-6,13H2.
What are the key properties of 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).