1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C9H18N2O2S — CID 64989224

IUPAC1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CCCN1
InChIInChI=1S/C9H18N2O2S/c12-14(13,7-8-3-4-8)11-6-9-2-1-5-10-9/h8-11H,1-7H2
InChIKeyDWFGRQOCDFGXKJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.07
Rot. Bonds5

About 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 64989224) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID64989224
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CCCN1
InChIInChI=1S/C9H18N2O2S/c12-14(13,7-8-3-4-8)11-6-9-2-1-5-10-9/h8-11H,1-7H2
InChIKeyDWFGRQOCDFGXKJ-UHFFFAOYSA-N
XLogP0.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 64989224) is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is O=S(=O)(CC1CC1)NCC1CCCN1.
What is the InChIKey of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is DWFGRQOCDFGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13,7-8-3-4-8)11-6-9-2-1-5-10-9/h8-11H,1-7H2.
What are the key properties of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64989224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).