1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C10H19N3O2S — CID 106607531

IUPAC1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)CC#N
InChIInChI=1S/C10H19N3O2S/c1-9(2)13(16(14,15)7-5-11)8-10-4-3-6-12-10/h9-10,12H,3-4,6-8H2,1-2H3
InChIKeyUUWXVYODWPVMAY-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.30
Rot. Bonds5

About 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106607531) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106607531
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)CC#N
InChIInChI=1S/C10H19N3O2S/c1-9(2)13(16(14,15)7-5-11)8-10-4-3-6-12-10/h9-10,12H,3-4,6-8H2,1-2H3
InChIKeyUUWXVYODWPVMAY-UHFFFAOYSA-N
XLogP0.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
N-(diethylsulfamoyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106630194
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106607342
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106607531) is 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CC(C)N(CC1CCCN1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is UUWXVYODWPVMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)13(16(14,15)7-5-11)8-10-4-3-6-12-10/h9-10,12H,3-4,6-8H2,1-2H3.
What are the key properties of 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106607531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).