N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine

C15H32N2S — CID 112661069

IUPACN-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
SMILESCCCC1(CN(C)C(CC)CSC)CCNCC1
InChIInChI=1S/C15H32N2S/c1-5-7-15(8-10-16-11-9-15)13-17(3)14(6-2)12-18-4/h14,16H,5-13H2,1-4H3
InChIKeyHPKFMVPMGFBQEO-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds8

About N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine

N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine (PubChem CID 112661069) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
PubChem CID112661069
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
SMILESCCCC1(CN(C)C(CC)CSC)CCNCC1
InChIInChI=1S/C15H32N2S/c1-5-7-15(8-10-16-11-9-15)13-17(3)14(6-2)12-18-4/h14,16H,5-13H2,1-4H3
InChIKeyHPKFMVPMGFBQEO-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-(methylthio)butan-2-amine
CID 50959965
2-[3-(Methylthio)propyl]-2,8-diazaspiro[4.5]decane
CID 56701883
3-(2,2-Dimethylpropyl)thiomorpholine
CID 58530439
2,8-Dimethyl-1-thia-8-azaspiro[4.5]decan-3-amine
CID 66993394
3-(2-Methylbutyl)thiomorpholine
CID 123288407
4-Ethyl-4-(methylsulfanylmethyl)piperidine
CID 123688528
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318
(4S,5R)-1-ethyl-N,5-dimethyl-5-(methylsulfanylmethyl)azepan-4-amine
CID 135295384
3-(2-Methylpentan-2-yl)thiomorpholine
CID 139332273
2,5-Dimethyl-3-(methylsulfanylmethyl)piperidine
CID 139357011
Ethane;1-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine
CID 142386021
1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol
CID 146424323

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine (CID 112661069) is N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine is CCCC1(CN(C)C(CC)CSC)CCNCC1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine?
The InChIKey is HPKFMVPMGFBQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-5-7-15(8-10-16-11-9-15)13-17(3)14(6-2)12-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine?
N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 112661069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).