1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide

C8H14N2O3S — CID 90513334

IUPAC1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H14N2O3S/c1-9-8(11)6-4-10(5-6)14(12,13)7-2-3-7/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyVDRMQCCAQPFWRM-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.84
Rot. Bonds3

About 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide

1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide (PubChem CID 90513334) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide
PubChem CID90513334
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H14N2O3S/c1-9-8(11)6-4-10(5-6)14(12,13)7-2-3-7/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyVDRMQCCAQPFWRM-UHFFFAOYSA-N
XLogP-0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide (CID 90513334) is 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide?
The InChIKey is VDRMQCCAQPFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-9-8(11)6-4-10(5-6)14(12,13)7-2-3-7/h6-7H,2-5H2,1H3,(H,9,11).
What are the key properties of 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 90513334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).