N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C10H19F3N2S — CID 106615318

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCCN(CCSC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H19F3N2S/c1-2-15(6-7-16-10(11,12)13)8-9-4-3-5-14-9/h9,14H,2-8H2,1H3
InChIKeyWYWOVCQSFGJKTL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds6

About N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 106615318) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID106615318
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCCN(CCSC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H19F3N2S/c1-2-15(6-7-16-10(11,12)13)8-9-4-3-5-14-9/h9,14H,2-8H2,1H3
InChIKeyWYWOVCQSFGJKTL-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622572
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106614944
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
CID 106614989
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 106615318) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is CCN(CCSC(F)(F)F)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is WYWOVCQSFGJKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-2-15(6-7-16-10(11,12)13)8-9-4-3-5-14-9/h9,14H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 106615318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).