1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine

C10H19NS — CID 123161019

IUPAC1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCCCSC1CN(C)C=CC1C
InChIInChI=1S/C10H19NS/c1-4-7-12-10-8-11(3)6-5-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMUHBDXYRWDHICN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.59
Rot. Bonds3

About 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine

1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine (PubChem CID 123161019) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
PubChem CID123161019
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCCCSC1CN(C)C=CC1C
InChIInChI=1S/C10H19NS/c1-4-7-12-10-8-11(3)6-5-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMUHBDXYRWDHICN-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine
CID 90978333
1-tert-butyl-4-(1-methylsulfanylethyl)-3,4-dihydro-2H-pyridine
CID 134314423
1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
CID 148813193
6-Methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione
CID 155402952
1-methylsulfanyl-4-(1-methylsulfanylethyl)-4H-pyridine
CID 156144619
(Z)-N-ethenyl-3-methyl-N,4-bis(methylsulfanyl)pent-1-en-1-amine
CID 156144646
1-methylsulfanyl-4-(1-methylsulfanylethyl)-3,4-dihydro-2H-pyridine
CID 156144647
N-methyl-N-(3-methylbutyl)-4-methylsulfanylhexa-1,5-dien-2-amine
CID 169916691
2,4,6-Tris(2-methylpropyl)-1,4-thiazine
CID 175392920

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine (CID 123161019) is 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine is CCCSC1CN(C)C=CC1C.
What is the InChIKey of 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine?
The InChIKey is MUHBDXYRWDHICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-7-12-10-8-11(3)6-5-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine?
1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine has a molecular weight of 185.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123161019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).