N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine

C11H22N2S — CID 120835407

IUPACN-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESCN(CC1CCSC1)C1CCNCC1
InChIInChI=1S/C11H22N2S/c1-13(8-10-4-7-14-9-10)11-2-5-12-6-3-11/h10-12H,2-9H2,1H3
InChIKeyGNOXDRAGIIVTGI-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine

N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine (PubChem CID 120835407) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine
PubChem CID120835407
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESCN(CC1CCSC1)C1CCNCC1
InChIInChI=1S/C11H22N2S/c1-13(8-10-4-7-14-9-10)11-2-5-12-6-3-11/h10-12H,2-9H2,1H3
InChIKeyGNOXDRAGIIVTGI-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
CID 106623912
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
CID 79715670
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
CID 83137303
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79708298
1-cyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)pyrrolidin-3-amine
CID 79707522
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine (CID 120835407) is N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine is CN(CC1CCSC1)C1CCNCC1.
What is the InChIKey of N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is GNOXDRAGIIVTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-13(8-10-4-7-14-9-10)11-2-5-12-6-3-11/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine?
N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120835407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).