3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine

C11H22N2S — CID 127017092

IUPAC3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine
SMILESCC1CNCCC1NC1CSCC1C
InChIInChI=1S/C11H22N2S/c1-8-5-12-4-3-10(8)13-11-7-14-6-9(11)2/h8-13H,3-7H2,1-2H3
InChIKeyQOHPHBNIGFYIQZ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.33
Rot. Bonds2

About 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine

3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine (PubChem CID 127017092) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine
PubChem CID127017092
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine
SMILESCC1CNCCC1NC1CSCC1C
InChIInChI=1S/C11H22N2S/c1-8-5-12-4-3-10(8)13-11-7-14-6-9(11)2/h8-13H,3-7H2,1-2H3
InChIKeyQOHPHBNIGFYIQZ-UHFFFAOYSA-N
XLogP1.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclobutyl)-3-methylpiperidin-4-amine
CID 131162880
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
(3R,4R)-N-cyclopropyl-4-methylpyrrolidin-3-amine
CID 68976248
N-but-3-en-2-yl-3-methylpiperidin-4-amine
CID 130590143
3-methyl-N-(4-methylthiophen-3-yl)piperidin-4-amine
CID 131021224
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
N-(3-methylpiperidin-4-yl)pyrimidin-2-amine
CID 131010456
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
CID 94428822
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
1-(1-adamantyl)-3-(3-methylpiperidin-4-yl)urea
CID 79872877
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine?
The IUPAC name of 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine (CID 127017092) is 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine is CC1CNCCC1NC1CSCC1C.
What is the InChIKey of 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine?
The InChIKey is QOHPHBNIGFYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8-5-12-4-3-10(8)13-11-7-14-6-9(11)2/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine?
3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 127017092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).