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

C10H18F3NOS — CID 103372593

IUPAC2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)CC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)9(5-14)7-16(15)6-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyBAARLSNFMVJFCZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.06
Rot. Bonds5

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

2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372593) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372593
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)CC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)9(5-14)7-16(15)6-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyBAARLSNFMVJFCZ-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372593) is 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)CC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BAARLSNFMVJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c11-10(12,13)9(5-14)7-16(15)6-8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).