1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine

C15H30N2S — CID 114122969

IUPAC1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCCCC2SC)CC1
InChIInChI=1S/C15H30N2S/c1-3-10-16-13-8-11-17(12-9-13)14-6-4-5-7-15(14)18-2/h13-16H,3-12H2,1-2H3
InChIKeyZJRRBSHBBJWFBT-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine

1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine (PubChem CID 114122969) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine
PubChem CID114122969
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CCCCC2SC)CC1
InChIInChI=1S/C15H30N2S/c1-3-10-16-13-8-11-17(12-9-13)14-6-4-5-7-15(14)18-2/h13-16H,3-12H2,1-2H3
InChIKeyZJRRBSHBBJWFBT-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
CID 166946144
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
1-(2-cyclopentylethyl)-N-propylpiperidin-4-amine
CID 54932891
cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
CID 129401187
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine (CID 114122969) is 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine is CCCNC1CCN(C2CCCCC2SC)CC1.
What is the InChIKey of 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine?
The InChIKey is ZJRRBSHBBJWFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-10-16-13-8-11-17(12-9-13)14-6-4-5-7-15(14)18-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine?
1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylcyclohexyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 114122969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).