(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine

C11H21NS — CID 163368473

IUPAC(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine
SMILESCC1(C)/C=C\C(C)(C)CC(N)SC1
InChIInChI=1S/C11H21NS/c1-10(2)5-6-11(3,4)8-13-9(12)7-10/h5-6,9H,7-8,12H2,1-4H3/b6-5-
InChIKeyXIPAKQBLGPBZBT-WAYWQWQTSA-N
MW199.36 g/mol
LogP3.02
Rot. Bonds

About (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine

(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine (PubChem CID 163368473) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine.

Molecular Properties

Compound Name(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine
PubChem CID163368473
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine
SMILESCC1(C)/C=C\C(C)(C)CC(N)SC1
InChIInChI=1S/C11H21NS/c1-10(2)5-6-11(3,4)8-13-9(12)7-10/h5-6,9H,7-8,12H2,1-4H3/b6-5-
InChIKeyXIPAKQBLGPBZBT-WAYWQWQTSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
2-[(E)-5,6,6-trimethylhept-3-en-3-yl]sulfanylethanamine
CID 173497896
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-(2-Ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640434

Frequently Asked Questions

What is the IUPAC name of (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine?
The IUPAC name of (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine (CID 163368473) is (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine.
What is the SMILES notation for (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine?
The canonical SMILES for (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine is CC1(C)/C=C\C(C)(C)CC(N)SC1.
What is the InChIKey of (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine?
The InChIKey is XIPAKQBLGPBZBT-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2)5-6-11(3,4)8-13-9(12)7-10/h5-6,9H,7-8,12H2,1-4H3/b6-5-.
What are the key properties of (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine?
(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine has a molecular weight of 199.36 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine is sourced from PubChem (CID 163368473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).