3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine

C10H18F3NO2S — CID 64697882

IUPAC3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)9(5-6-14)17(15,16)7-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeySLSCTJOCQWHJGT-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.87
Rot. Bonds5

About 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine

3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 64697882) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
PubChem CID64697882
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)9(5-6-14)17(15,16)7-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeySLSCTJOCQWHJGT-UHFFFAOYSA-N
XLogP1.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine (CID 64697882) is 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine is NCCC(C(F)(F)F)S(=O)(=O)CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is SLSCTJOCQWHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c11-10(12,13)9(5-6-14)17(15,16)7-8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine?
3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64697882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).