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

C10H18F3NO2S — CID 103372542

IUPAC2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)8(6-14)7-17(15,16)9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeySZAARJXQWGZTRE-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.87
Rot. Bonds4

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

2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372542) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372542
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)8(6-14)7-17(15,16)9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeySZAARJXQWGZTRE-UHFFFAOYSA-N
XLogP1.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-difluorocyclohexyl)sulfonyl-N-methylpropan-1-amine
CID 70652558
3-(5,5,5-Trifluoropentylsulfonyl)propan-1-amine
CID 86696841
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-(5,5,6,6,6-Pentafluorohexylsulfonyl)butan-1-amine
CID 142791538
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
1-(6,6,6-Trifluorohexylsulfonyl)propan-1-amine
CID 153903946
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
3-Cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64698459
4,4,4-Trifluoro-3-(2-methylpropylsulfonyl)butan-1-amine
CID 64699419
3-Cyclohexylsulfinyl-4,4,4-trifluorobutan-1-amine
CID 81328376
2-(Tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372519

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372542) is 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is SZAARJXQWGZTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c11-10(12,13)8(6-14)7-17(15,16)9-4-2-1-3-5-9/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).