(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine

C10H17NS — CID 88985534

IUPAC(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
SMILESC=C=CC(=C)[C@H](CCSC)NC
InChIInChI=1S/C10H17NS/c1-5-6-9(2)10(11-3)7-8-12-4/h6,10-11H,1-2,7-8H2,3-4H3/t10-/m0/s1
InChIKeyFDPCQATVLLMGFZ-JTQLQIEISA-N
MW183.32 g/mol
LogP2.22
Rot. Bonds6

About (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine

(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine (PubChem CID 88985534) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
PubChem CID88985534
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
SMILESC=C=CC(=C)[C@H](CCSC)NC
InChIInChI=1S/C10H17NS/c1-5-6-9(2)10(11-3)7-8-12-4/h6,10-11H,1-2,7-8H2,3-4H3/t10-/m0/s1
InChIKeyFDPCQATVLLMGFZ-JTQLQIEISA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119
(5S)-5-(methylamino)-7-methylsulfanyl-4-oxohept-2-enoic acid
CID 87501078
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
CID 130301190
2,2-dimethyl-N-[(3S)-5-methylsulfanyl-2-nitrosopent-1-en-3-yl]cyclopropan-1-amine
CID 89410491
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid
CID 20660327
(2S)-2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid;zinc
CID 174699111
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
CID 54567082

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine?
The IUPAC name of (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine (CID 88985534) is (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine.
What is the SMILES notation for (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine?
The canonical SMILES for (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine is C=C=CC(=C)[C@H](CCSC)NC.
What is the InChIKey of (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine?
The InChIKey is FDPCQATVLLMGFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NS/c1-5-6-9(2)10(11-3)7-8-12-4/h6,10-11H,1-2,7-8H2,3-4H3/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine?
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine has a molecular weight of 183.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine is sourced from PubChem (CID 88985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).