N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine

C12H24N2O2S — CID 79707253

IUPACN-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
SMILESCN(CC1CCNCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(10-11-2-6-13-7-3-11)12-4-8-17(15,16)9-5-12/h11-13H,2-10H2,1H3
InChIKeyYXWNAHXZDQLYHI-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds3

About N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine

N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine (PubChem CID 79707253) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
PubChem CID79707253
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
SMILESCN(CC1CCNCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(10-11-2-6-13-7-3-11)12-4-8-17(15,16)9-5-12/h11-13H,2-10H2,1H3
InChIKeyYXWNAHXZDQLYHI-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
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
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
1-cyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)pyrrolidin-3-amine
CID 79707522
N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride
CID 120849563
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607275
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine (CID 79707253) is N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine is CN(CC1CCNCC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine?
The InChIKey is YXWNAHXZDQLYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(10-11-2-6-13-7-3-11)12-4-8-17(15,16)9-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine?
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine is sourced from PubChem (CID 79707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).