3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide

C12H22N2OS — CID 107295549

IUPAC3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCSC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-3-2-5-14(8-10)12(15)13-7-11-4-6-16-9-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyBLQJBJOOFNRAAP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.18
Rot. Bonds2

About 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide

3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 107295549) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
PubChem CID107295549
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCSC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-3-2-5-14(8-10)12(15)13-7-11-4-6-16-9-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyBLQJBJOOFNRAAP-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 71868349
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
CID 75377524
3,3-Dimethyl-1-[(thiolan-3-yl)methyl]urea
CID 107295546
N-methyl-4-(1-tetrahydro-2H-thiopyran-4-yltetrahydro-1H-pyrrol-3-yl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91921395
2,2-Dimethyl-N-[(1-methylpiperidin-3-YL)methyl]thiomorpholine-4-carboxamide
CID 71859649
N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 71867717
2-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 71990547
1-(Thiolan-2-ylmethyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817532
(2R)-2-ethyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 97582552
(2S)-2-ethyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 97582553
(2R)-2-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 97582554
(2S)-2-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 97582555

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide (CID 107295549) is 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide is CC1CCCN(C(=O)NCC2CCSC2)C1.
What is the InChIKey of 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is BLQJBJOOFNRAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-3-2-5-14(8-10)12(15)13-7-11-4-6-16-9-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide?
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 107295549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).