N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide

C12H23N3O3S — CID 75454845

IUPACN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NC1CCN(CC2CC2)C1
InChIInChI=1S/C12H23N3O3S/c1-14(2)19(17,18)9-12(16)13-11-5-6-15(8-11)7-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,13,16)
InChIKeyVMQORAMBTLEWKP-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.52
Rot. Bonds6

About N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide (PubChem CID 75454845) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide
PubChem CID75454845
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NC1CCN(CC2CC2)C1
InChIInChI=1S/C12H23N3O3S/c1-14(2)19(17,18)9-12(16)13-11-5-6-15(8-11)7-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,13,16)
InChIKeyVMQORAMBTLEWKP-UHFFFAOYSA-N
XLogP-0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide (CID 75454845) is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide is CN(C)S(=O)(=O)CC(=O)NC1CCN(CC2CC2)C1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide?
The InChIKey is VMQORAMBTLEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-14(2)19(17,18)9-12(16)13-11-5-6-15(8-11)7-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide?
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-(dimethylsulfamoyl)acetamide is sourced from PubChem (CID 75454845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).