(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine

C10H19NS — CID 117267507

IUPAC(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCSC1
InChIInChI=1S/C10H19NS/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5,10-11H,3-4,6-9H2,1H3/b5-2-
InChIKeyPSEIFAOGHJOVEJ-DJWKRKHSSA-N
MW185.34 g/mol
LogP2.30
Rot. Bonds4

About (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine

(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine (PubChem CID 117267507) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine
PubChem CID117267507
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCSC1
InChIInChI=1S/C10H19NS/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5,10-11H,3-4,6-9H2,1H3/b5-2-
InChIKeyPSEIFAOGHJOVEJ-DJWKRKHSSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
CID 117267511
(E)-3-(thian-3-yl)prop-2-enal
CID 115012194
(Z)-4-(1,1-dioxothiolan-3-yl)-N-methylbut-3-en-1-amine
CID 117267300
N-methylthian-3-amine;hydrochloride
CID 86811695
4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
CID 106081409
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
(E)-4-bromo-N-methylbut-3-en-1-amine
CID 20625500
(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine
CID 117265771
(Z)-N-methyl-4-(thiolan-3-yl)but-2-en-1-amine
CID 117265727
N-(4-methylpentyl)thian-3-amine
CID 62871286
N,3-dimethyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133855
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine (CID 117267507) is (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine is CNCC/C=C\C1CCCSC1.
What is the InChIKey of (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine?
The InChIKey is PSEIFAOGHJOVEJ-DJWKRKHSSA-N. The full InChI is InChI=1S/C10H19NS/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,5,10-11H,3-4,6-9H2,1H3/b5-2-.
What are the key properties of (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine?
(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine is sourced from PubChem (CID 117267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).