(1-cyanocyclopropyl)methanesulfonamide

C5H8N2O2S — CID 75450915

IUPAC(1-cyanocyclopropyl)methanesulfonamide
SMILESN#CC1(CS(N)(=O)=O)CC1
InChIInChI=1S/C5H8N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-2,4H2,(H2,7,8,9)
InChIKeyPYZWTDCICGGQIN-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.42
Rot. Bonds2

About (1-cyanocyclopropyl)methanesulfonamide

(1-cyanocyclopropyl)methanesulfonamide (PubChem CID 75450915) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (1-cyanocyclopropyl)methanesulfonamide.

Molecular Properties

Compound Name(1-cyanocyclopropyl)methanesulfonamide
PubChem CID75450915
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(1-cyanocyclopropyl)methanesulfonamide
SMILESN#CC1(CS(N)(=O)=O)CC1
InChIInChI=1S/C5H8N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-2,4H2,(H2,7,8,9)
InChIKeyPYZWTDCICGGQIN-UHFFFAOYSA-N
XLogP-0.42
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyanooxan-4-yl)methanesulfonamide
CID 75480673
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
1-(2,5-dihydropyrrol-1-ylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 175807928
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide
CID 99718319
1-(2-oxopropyl)cyclopropane-1-carbonitrile
CID 118669099
[1-(aminomethyl)cyclobutyl]methanesulfonamide;hydrochloride
CID 167722351
(1-propylcyclopropyl)methanesulfonamide
CID 130554026
(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047
1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile
CID 136548117

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclopropyl)methanesulfonamide?
The IUPAC name of (1-cyanocyclopropyl)methanesulfonamide (CID 75450915) is (1-cyanocyclopropyl)methanesulfonamide.
What is the SMILES notation for (1-cyanocyclopropyl)methanesulfonamide?
The canonical SMILES for (1-cyanocyclopropyl)methanesulfonamide is N#CC1(CS(N)(=O)=O)CC1.
What is the InChIKey of (1-cyanocyclopropyl)methanesulfonamide?
The InChIKey is PYZWTDCICGGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-2,4H2,(H2,7,8,9).
What are the key properties of (1-cyanocyclopropyl)methanesulfonamide?
(1-cyanocyclopropyl)methanesulfonamide has a molecular weight of 160.20 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclopropyl)methanesulfonamide is sourced from PubChem (CID 75450915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).