N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine

C13H26N2S — CID 79950974

IUPACN-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C1CSC(C)C1
InChIInChI=1S/C13H26N2S/c1-3-7-15(12-5-4-6-14-9-12)13-8-11(2)16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyKEZBYFXXLCLLQN-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds4

About N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine

N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine (PubChem CID 79950974) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine
PubChem CID79950974
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C1CSC(C)C1
InChIInChI=1S/C13H26N2S/c1-3-7-15(12-5-4-6-14-9-12)13-8-11(2)16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyKEZBYFXXLCLLQN-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclobutyl)-N-propylpyrrolidin-3-amine
CID 104973725
N-(3-methylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 63300868
N-(3,5-dimethylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 64751703
N-(4-methylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 63300696
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
N-(4-methylcycloheptyl)-N-propylazetidin-3-amine
CID 66182876
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
2-methyl-N-piperidin-3-yl-N-propylcyclopropane-1-carboxamide
CID 60807764
N-ethyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 63644323
N-(1-cyclopropylpropyl)-N-ethylpiperidin-3-amine
CID 64917233
N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine (CID 79950974) is N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C1CSC(C)C1.
What is the InChIKey of N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine?
The InChIKey is KEZBYFXXLCLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-7-15(12-5-4-6-14-9-12)13-8-11(2)16-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine?
N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiolan-3-yl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 79950974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).