1-methylsulfonyl-N-propylazetidine-3-carboxamide

C8H16N2O3S — CID 90513047

IUPAC1-methylsulfonyl-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyPXNJNXTYFFMKLM-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds4

About 1-methylsulfonyl-N-propylazetidine-3-carboxamide

1-methylsulfonyl-N-propylazetidine-3-carboxamide (PubChem CID 90513047) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propylazetidine-3-carboxamide
PubChem CID90513047
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-methylsulfonyl-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyPXNJNXTYFFMKLM-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785531
N-cyclopentyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785465
1-(methylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)azetidine-3-carboxamide
CID 71785476
N-[(S)-2-methoxy-1-methylethyl]-1-mesyl-3-azetidinecarboxamide
CID 95377113
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 142751673
N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 21034171
N-butyl-3-(methanesulfonamido)propanamide
CID 23563470
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide
CID 59640671
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
1-(Methylsulfonyl)azetidine-3-carboxamide
CID 71785510
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propylazetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-propylazetidine-3-carboxamide (CID 90513047) is 1-methylsulfonyl-N-propylazetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-propylazetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-propylazetidine-3-carboxamide is CCCNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-N-propylazetidine-3-carboxamide?
The InChIKey is PXNJNXTYFFMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 1-methylsulfonyl-N-propylazetidine-3-carboxamide?
1-methylsulfonyl-N-propylazetidine-3-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propylazetidine-3-carboxamide is sourced from PubChem (CID 90513047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).