(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine

C11H21NS — CID 117267771

IUPAC(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine
SMILESCNCC/C=C\CC1CCCSC1
InChIInChI=1S/C11H21NS/c1-12-8-4-2-3-6-11-7-5-9-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2-
InChIKeyNXHFLJDBZQCILR-IHWYPQMZSA-N
MW199.36 g/mol
LogP2.69
Rot. Bonds5

About (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine

(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine (PubChem CID 117267771) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine
PubChem CID117267771
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine
SMILESCNCC/C=C\CC1CCCSC1
InChIInChI=1S/C11H21NS/c1-12-8-4-2-3-6-11-7-5-9-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2-
InChIKeyNXHFLJDBZQCILR-IHWYPQMZSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.69
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

3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
1-cyclohex-3-en-1-ylsulfanyl-N-methylethanamine
CID 118214000
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
CID 142139244
Ethanamine;4-(methylsulfanylmethyl)cyclohexene
CID 145012097
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)piperidine
CID 145587761
2-[(2Z)-2-(6-ethyl-4-methylcyclohexa-2,4-dien-1-ylidene)ethyl]sulfanyl-N-methylethanamine
CID 146351735
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine;ethane
CID 166104304
(E)-N-ethynyl-6-methyl-5-methylidene-2-pentylsulfanyl-4-[(E)-prop-1-enyl]oct-3-en-1-amine
CID 166922300
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
CID 60663567
N-(cyclohex-3-en-1-ylmethyl)thian-4-amine
CID 61801174

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine (CID 117267771) is (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine is CNCC/C=C\CC1CCCSC1.
What is the InChIKey of (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine?
The InChIKey is NXHFLJDBZQCILR-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H21NS/c1-12-8-4-2-3-6-11-7-5-9-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2-.
What are the key properties of (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine?
(Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-5-(thian-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 117267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).