1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide

C11H22N2O3S — CID 90513001

IUPAC1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyWYAGAHONZNLFON-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.52
Rot. Bonds4

About 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide

1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide (PubChem CID 90513001) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
PubChem CID90513001
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyWYAGAHONZNLFON-UHFFFAOYSA-N
XLogP0.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
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(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
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(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 95804963
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
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1-methylsulfonyl-3-propan-2-yloxyazetidine
CID 121261769
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513205
3-[ethyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62827234
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide (CID 90513001) is 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide is CC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C.
What is the InChIKey of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The InChIKey is WYAGAHONZNLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90513001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).