1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide

C10H18N2O3S — CID 90513337

IUPAC1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C10H18N2O3S/c1-2-5-11-10(13)8-6-12(7-8)16(14,15)9-3-4-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyOLIALZHACUIGDW-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide

1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide (PubChem CID 90513337) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide
PubChem CID90513337
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C10H18N2O3S/c1-2-5-11-10(13)8-6-12(7-8)16(14,15)9-3-4-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyOLIALZHACUIGDW-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide (CID 90513337) is 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide is CCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide?
The InChIKey is OLIALZHACUIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-5-11-10(13)8-6-12(7-8)16(14,15)9-3-4-9/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-propylazetidine-3-carboxamide is sourced from PubChem (CID 90513337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).