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

C11H25NS — CID 142258357

IUPAC(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane
SMILESCCC.CCS/C=C(\NC)C(C)C
InChIInChI=1S/C8H17NS.C3H8/c1-5-10-6-8(9-4)7(2)3;1-3-2/h6-7,9H,5H2,1-4H3;3H2,1-2H3/b8-6-;
InChIKeyUHSOKOQMTUTLRU-PHZXCRFESA-N
MW203.39 g/mol
LogP3.87
Rot. Bonds4

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

(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane (PubChem CID 142258357) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane
PubChem CID142258357
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane
SMILESCCC.CCS/C=C(\NC)C(C)C
InChIInChI=1S/C8H17NS.C3H8/c1-5-10-6-8(9-4)7(2)3;1-3-2/h6-7,9H,5H2,1-4H3;3H2,1-2H3/b8-6-;
InChIKeyUHSOKOQMTUTLRU-PHZXCRFESA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.87
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;propane?
The IUPAC name of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane (CID 142258357) is (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane.
What is the SMILES notation for (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane?
The canonical SMILES for (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane is CCC.CCS/C=C(\NC)C(C)C.
What is the InChIKey of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane?
The InChIKey is UHSOKOQMTUTLRU-PHZXCRFESA-N. The full InChI is InChI=1S/C8H17NS.C3H8/c1-5-10-6-8(9-4)7(2)3;1-3-2/h6-7,9H,5H2,1-4H3;3H2,1-2H3/b8-6-;.
What are the key properties of (Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane?
(Z)-1-ethylsulfanyl-N,3-dimethylbut-1-en-2-amine;propane has a molecular weight of 203.39 g/mol, XLogP of 3.87, 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;propane is sourced from PubChem (CID 142258357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).