N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide

C9H16N2OS — CID 129371666

IUPACN-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)[C@@H]1CCSC1
InChIInChI=1S/C9H16N2OS/c1-11(8-2-3-13-6-8)9(12)7-4-10-5-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeyWPLPHWMQMOTYOV-MRVPVSSYSA-N
MW200.31 g/mol
LogP0.17
Rot. Bonds2

About N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide

N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide (PubChem CID 129371666) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide
PubChem CID129371666
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)[C@@H]1CCSC1
InChIInChI=1S/C9H16N2OS/c1-11(8-2-3-13-6-8)9(12)7-4-10-5-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeyWPLPHWMQMOTYOV-MRVPVSSYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide
CID 66031482
2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791236
9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983130
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
(5S)-N,2-dimethyl-N-[(3S)-thiolan-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129394270
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
methyl 2-[methyl(thiolan-3-yl)amino]-2-oxoacetate
CID 112616550
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide (CID 129371666) is N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide is CN(C(=O)C1CNC1)[C@@H]1CCSC1.
What is the InChIKey of N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide?
The InChIKey is WPLPHWMQMOTYOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-11(8-2-3-13-6-8)9(12)7-4-10-5-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide?
N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 129371666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).