1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide

C9H15N3O3S — CID 103850382

IUPAC1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide
SMILESCCC(C#N)S(=O)(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C9H15N3O3S/c1-2-8(5-10)16(14,15)12-4-3-7(6-12)9(11)13/h7-8H,2-4,6H2,1H3,(H2,11,13)
InChIKeyCRLOOMOEHDQUEO-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.57
Rot. Bonds4

About 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide

1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide (PubChem CID 103850382) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide
PubChem CID103850382
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide
SMILESCCC(C#N)S(=O)(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C9H15N3O3S/c1-2-8(5-10)16(14,15)12-4-3-7(6-12)9(11)13/h7-8H,2-4,6H2,1H3,(H2,11,13)
InChIKeyCRLOOMOEHDQUEO-UHFFFAOYSA-N
XLogP-0.57
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide
CID 112705178
2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 130634227
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
CID 66433232
2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
CID 54947165
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
CID 175836971
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
1-(2-cyanopropanoyl)piperidine-4-carboxamide
CID 55207643
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]butanenitrile
CID 107271352
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide (CID 103850382) is 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide is CCC(C#N)S(=O)(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide?
The InChIKey is CRLOOMOEHDQUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-8(5-10)16(14,15)12-4-3-7(6-12)9(11)13/h7-8H,2-4,6H2,1H3,(H2,11,13).
What are the key properties of 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide?
1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103850382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).