1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C9H17N3O2S — CID 106607994

IUPAC1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)CC#N
InChIInChI=1S/C9H17N3O2S/c1-2-12(15(13,14)7-5-10)8-9-4-3-6-11-9/h9,11H,2-4,6-8H2,1H3
InChIKeyIPWIMJDYTQACEN-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.09
Rot. Bonds5

About 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106607994) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106607994
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)CC#N
InChIInChI=1S/C9H17N3O2S/c1-2-12(15(13,14)7-5-10)8-9-4-3-6-11-9/h9,11H,2-4,6-8H2,1H3
InChIKeyIPWIMJDYTQACEN-UHFFFAOYSA-N
XLogP-0.09
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608209
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608211

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106607994) is 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CCN(CC1CCCN1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is IPWIMJDYTQACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-12(15(13,14)7-5-10)8-9-4-3-6-11-9/h9,11H,2-4,6-8H2,1H3.
What are the key properties of 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106607994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).