(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine

C8H17NS — CID 142258358

IUPAC(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine
SMILESCCS/C=C(\NC)C(C)C
InChIInChI=1S/C8H17NS/c1-5-10-6-8(9-4)7(2)3/h6-7,9H,5H2,1-4H3/b8-6-
InChIKeyDPVCAAIIWKLEQM-VURMDHGXSA-N
MW159.30 g/mol
LogP2.46
Rot. Bonds4

About (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine

(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine (PubChem CID 142258358) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine
PubChem CID142258358
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine
SMILESCCS/C=C(\NC)C(C)C
InChIInChI=1S/C8H17NS/c1-5-10-6-8(9-4)7(2)3/h6-7,9H,5H2,1-4H3/b8-6-
InChIKeyDPVCAAIIWKLEQM-VURMDHGXSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine (CID 142258358) is (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine is CCS/C=C(\NC)C(C)C.
What is the InChIKey of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine?
The InChIKey is DPVCAAIIWKLEQM-VURMDHGXSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-10-6-8(9-4)7(2)3/h6-7,9H,5H2,1-4H3/b8-6-.
What are the key properties of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine?
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 142258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).