(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide

C11H20N2OS — CID 81135090

IUPAC(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCS1)[C@@H]1CCCNC1
InChIInChI=1S/C11H20N2OS/c14-11(9-3-1-5-12-7-9)13-8-10-4-2-6-15-10/h9-10,12H,1-8H2,(H,13,14)/t9-,10?/m1/s1
InChIKeySAGYBOKWELEENH-YHMJZVADSA-N
MW228.36 g/mol
LogP1.00
Rot. Bonds3

About (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide

(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 81135090) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID81135090
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCS1)[C@@H]1CCCNC1
InChIInChI=1S/C11H20N2OS/c14-11(9-3-1-5-12-7-9)13-8-10-4-2-6-15-10/h9-10,12H,1-8H2,(H,13,14)/t9-,10?/m1/s1
InChIKeySAGYBOKWELEENH-YHMJZVADSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide
CID 115734269
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-(thiolan-2-ylmethyl)morpholine-2-carboxamide
CID 80584597
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 80584681
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
(3R)-N-[(3-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 106134003

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide (CID 81135090) is (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCCS1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SAGYBOKWELEENH-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(9-3-1-5-12-7-9)13-8-10-4-2-6-15-10/h9-10,12H,1-8H2,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide?
(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).