1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

C10H19N3O2S — CID 106607342

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

About 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (PubChem CID 106607342) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
PubChem CID106607342
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)N(C)CC1CCCN1
InChIInChI=1S/C10H19N3O2S/c1-3-10(7-11)16(14,15)13(2)8-9-5-4-6-12-9/h9-10,12H,3-6,8H2,1-2H3
InChIKeyBIQMCDQTNOZWFS-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

N-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 106607328
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
CID 106630525
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (CID 106607342) is 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)N(C)CC1CCCN1.
What is the InChIKey of 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is BIQMCDQTNOZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-10(7-11)16(14,15)13(2)8-9-5-4-6-12-9/h9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
1-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide 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-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106607342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).