(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine

C7H14FNS — CID 138554884

IUPAC(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine
SMILESCN/C=C\SC(C)[C@@H](C)F
InChIInChI=1S/C7H14FNS/c1-6(8)7(2)10-5-4-9-3/h4-7,9H,1-3H3/b5-4-/t6-,7?/m1/s1
InChIKeyLVDLPDCGBIFTLZ-DMQZGXKISA-N
MW163.26 g/mol
LogP2.16
Rot. Bonds4

About (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine

(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine (PubChem CID 138554884) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine.

Molecular Properties

Compound Name(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine
PubChem CID138554884
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine
SMILESCN/C=C\SC(C)[C@@H](C)F
InChIInChI=1S/C7H14FNS/c1-6(8)7(2)10-5-4-9-3/h4-7,9H,1-3H3/b5-4-/t6-,7?/m1/s1
InChIKeyLVDLPDCGBIFTLZ-DMQZGXKISA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine?
The IUPAC name of (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine (CID 138554884) is (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine.
What is the SMILES notation for (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine?
The canonical SMILES for (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine is CN/C=C\SC(C)[C@@H](C)F.
What is the InChIKey of (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine?
The InChIKey is LVDLPDCGBIFTLZ-DMQZGXKISA-N. The full InChI is InChI=1S/C7H14FNS/c1-6(8)7(2)10-5-4-9-3/h4-7,9H,1-3H3/b5-4-/t6-,7?/m1/s1.
What are the key properties of (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine?
(Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine has a molecular weight of 163.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3R)-3-fluorobutan-2-yl]sulfanyl-N-methylethenamine is sourced from PubChem (CID 138554884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).