1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile

C12H23N3S — CID 114525358

IUPAC1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H23N3S/c1-14(2)7-4-8-15-9-5-12(11-13,16-3)6-10-15/h4-10H2,1-3H3
InChIKeyVPVZQHMJKHSUSH-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.66
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile

1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile (PubChem CID 114525358) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile
PubChem CID114525358
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H23N3S/c1-14(2)7-4-8-15-9-5-12(11-13,16-3)6-10-15/h4-10H2,1-3H3
InChIKeyVPVZQHMJKHSUSH-UHFFFAOYSA-N
XLogP1.66
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-1-(2-pyrrolidin-1-ylethyl)piperidine-4-carbonitrile
CID 107912191
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-[(3,5-difluorophenyl)methyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 105403433
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647
[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
CID 117012027
1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
CID 117011947
1-methylsulfanylcyclobutane-1-carbonitrile
CID 65130992

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile (CID 114525358) is 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile is CSC1(C#N)CCN(CCCN(C)C)CC1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile?
The InChIKey is VPVZQHMJKHSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-14(2)7-4-8-15-9-5-12(11-13,16-3)6-10-15/h4-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile?
1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile has a molecular weight of 241.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile is sourced from PubChem (CID 114525358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).