(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine

C8H17NS — CID 134357830

IUPAC(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine
SMILESCC/C=C(/CCSC)NC
InChIInChI=1S/C8H17NS/c1-4-5-8(9-2)6-7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyCSYCMNYFVUHOQD-YVMONPNESA-N
MW159.30 g/mol
LogP2.25
Rot. Bonds5

About (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine

(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine (PubChem CID 134357830) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine
PubChem CID134357830
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine
SMILESCC/C=C(/CCSC)NC
InChIInChI=1S/C8H17NS/c1-4-5-8(9-2)6-7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyCSYCMNYFVUHOQD-YVMONPNESA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 88219564
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
(Z)-N-[1-(trimethyl-lambda4-sulfanyl)but-3-en-2-yl]pent-2-en-2-amine
CID 138667307
[(E)-2-(methylamino)pent-2-enyl] methanedithioate
CID 139539536
N-pentyl-3,6-dihydro-2H-thiopyran-4-amine
CID 141769027
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane
CID 142258357
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine
CID 142258358
(Z)-N-methyl-1-propylsulfanylbut-1-en-2-amine
CID 142925921
ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 143646681
ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
CID 144566502
ethane;methanamine;N-methyl-4-methylsulfanylhexa-1,5-dien-2-amine
CID 145342944
5-Ethyl-2,3,4,7-tetrahydro-1,4-thiazepine
CID 146229285

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine?
The IUPAC name of (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine (CID 134357830) is (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine.
What is the SMILES notation for (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine?
The canonical SMILES for (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine is CC/C=C(/CCSC)NC.
What is the InChIKey of (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine?
The InChIKey is CSYCMNYFVUHOQD-YVMONPNESA-N. The full InChI is InChI=1S/C8H17NS/c1-4-5-8(9-2)6-7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine?
(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine is sourced from PubChem (CID 134357830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).