N-(2-methylpiperidin-4-yl)thiane-2-carboxamide

C12H22N2OS — CID 106995179

IUPACN-(2-methylpiperidin-4-yl)thiane-2-carboxamide
SMILESCC1CC(NC(=O)C2CCCCS2)CCN1
InChIInChI=1S/C12H22N2OS/c1-9-8-10(5-6-13-9)14-12(15)11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyLTLFYFAMXLTYFR-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.53
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)thiane-2-carboxamide

N-(2-methylpiperidin-4-yl)thiane-2-carboxamide (PubChem CID 106995179) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)thiane-2-carboxamide
PubChem CID106995179
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methylpiperidin-4-yl)thiane-2-carboxamide
SMILESCC1CC(NC(=O)C2CCCCS2)CCN1
InChIInChI=1S/C12H22N2OS/c1-9-8-10(5-6-13-9)14-12(15)11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyLTLFYFAMXLTYFR-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599635
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995414
2-methyl-N-(2-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 106995532
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597978
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)thiane-2-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)thiane-2-carboxamide (CID 106995179) is N-(2-methylpiperidin-4-yl)thiane-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)thiane-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)thiane-2-carboxamide is CC1CC(NC(=O)C2CCCCS2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)thiane-2-carboxamide?
The InChIKey is LTLFYFAMXLTYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-8-10(5-6-13-9)14-12(15)11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(2-methylpiperidin-4-yl)thiane-2-carboxamide?
N-(2-methylpiperidin-4-yl)thiane-2-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)thiane-2-carboxamide is sourced from PubChem (CID 106995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).