(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine

C8H16FNS — CID 88534300

IUPAC(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(CF)[C@H](CCSC)NC
InChIInChI=1S/C8H16FNS/c1-7(6-9)8(10-2)4-5-11-3/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyXHRDABWISGLZAG-QMMMGPOBSA-N
MW177.29 g/mol
LogP1.85
Rot. Bonds6

About (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine

(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88534300) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88534300
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(CF)[C@H](CCSC)NC
InChIInChI=1S/C8H16FNS/c1-7(6-9)8(10-2)4-5-11-3/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyXHRDABWISGLZAG-QMMMGPOBSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3S)-N-(fluoromethyl)-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 90047894
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
(3S)-2-methyl-5-methylsulfanyl-N-[(E)-prop-1-enyl]pent-1-en-3-amine
CID 88870864
(3S)-N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88936056
(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine
CID 88942821
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-N-ethynyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89146385

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine (CID 88534300) is (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine is C=C(CF)[C@H](CCSC)NC.
What is the InChIKey of (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is XHRDABWISGLZAG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7(6-9)8(10-2)4-5-11-3/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 177.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(fluoromethyl)-N-methyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88534300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).