1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine

C10H19NS — CID 123231255

IUPAC1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine
SMILESCCC/N=C1\C=CS(C)(C)CC1
InChIInChI=1S/C10H19NS/c1-4-7-11-10-5-8-12(2,3)9-6-10/h5,8H,4,6-7,9H2,1-3H3/b11-10+
InChIKeyTVKXJVQIJHEHFB-ZHACJKMWSA-N
MW185.34 g/mol
LogP2.82
Rot. Bonds2

About 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine

1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine (PubChem CID 123231255) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine.

Molecular Properties

Compound Name1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine
PubChem CID123231255
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine
SMILESCCC/N=C1\C=CS(C)(C)CC1
InChIInChI=1S/C10H19NS/c1-4-7-11-10-5-8-12(2,3)9-6-10/h5,8H,4,6-7,9H2,1-3H3/b11-10+
InChIKeyTVKXJVQIJHEHFB-ZHACJKMWSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Isobutylimino-2 H-thiopyran
CID 129646653
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
2,4-dimethyl-2H-1,3-thiazine
CID 141035957
6-ethenylsulfanyl-N-(2-methylpropyl)-2,3-dihydrothiopyran-4-imine
CID 141868862
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 144752184
(Z)-3-[1-(2-methyl-2,3-dihydropyridin-6-yl)ethylsulfanyl]prop-2-ene-1-thiol
CID 163881730
N-methyl-2,3-dihydrothiopyran-4-imine
CID 173505818
4-[(Z)-but-1-enyl]sulfanyl-N-methylbutan-2-imine
CID 143869359

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine?
The IUPAC name of 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine (CID 123231255) is 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine.
What is the SMILES notation for 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine?
The canonical SMILES for 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine is CCC/N=C1\C=CS(C)(C)CC1.
What is the InChIKey of 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine?
The InChIKey is TVKXJVQIJHEHFB-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-7-11-10-5-8-12(2,3)9-6-10/h5,8H,4,6-7,9H2,1-3H3/b11-10+.
What are the key properties of 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine?
1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine has a molecular weight of 185.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine is sourced from PubChem (CID 123231255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).