(4-cyanooxan-4-yl)methanesulfonamide

C7H12N2O3S — CID 75480673

IUPAC(4-cyanooxan-4-yl)methanesulfonamide
SMILESN#CC1(CS(N)(=O)=O)CCOCC1
InChIInChI=1S/C7H12N2O3S/c8-5-7(6-13(9,10)11)1-3-12-4-2-7/h1-4,6H2,(H2,9,10,11)
InChIKeyHKVDQQJSDJTZPU-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.40
Rot. Bonds2

About (4-cyanooxan-4-yl)methanesulfonamide

(4-cyanooxan-4-yl)methanesulfonamide (PubChem CID 75480673) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is (4-cyanooxan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name(4-cyanooxan-4-yl)methanesulfonamide
PubChem CID75480673
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name(4-cyanooxan-4-yl)methanesulfonamide
SMILESN#CC1(CS(N)(=O)=O)CCOCC1
InChIInChI=1S/C7H12N2O3S/c8-5-7(6-13(9,10)11)1-3-12-4-2-7/h1-4,6H2,(H2,9,10,11)
InChIKeyHKVDQQJSDJTZPU-UHFFFAOYSA-N
XLogP-0.40
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyanocyclopropyl)methanesulfonamide
CID 75450915
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
4-(aminooxymethyl)oxane-4-carbonitrile
CID 167072211
sodium (4-cyanooxan-4-yl)methanesulfinate
CID 165449640
4-butyloxane-4-carbonitrile
CID 65392922
4-(3,3-dimethylbutyl)oxane-4-carbonitrile
CID 65393336
4-methylsulfonyloxane-4-carbonitrile
CID 62474179
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
4-[(4-bromophenyl)methyl]oxane-4-carbonitrile
CID 65394794
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
CID 65005853
1-[[(5S)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]sulfonylmethyl]cyclopentane-1-carbonitrile
CID 129347116

Frequently Asked Questions

What is the IUPAC name of (4-cyanooxan-4-yl)methanesulfonamide?
The IUPAC name of (4-cyanooxan-4-yl)methanesulfonamide (CID 75480673) is (4-cyanooxan-4-yl)methanesulfonamide.
What is the SMILES notation for (4-cyanooxan-4-yl)methanesulfonamide?
The canonical SMILES for (4-cyanooxan-4-yl)methanesulfonamide is N#CC1(CS(N)(=O)=O)CCOCC1.
What is the InChIKey of (4-cyanooxan-4-yl)methanesulfonamide?
The InChIKey is HKVDQQJSDJTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c8-5-7(6-13(9,10)11)1-3-12-4-2-7/h1-4,6H2,(H2,9,10,11).
What are the key properties of (4-cyanooxan-4-yl)methanesulfonamide?
(4-cyanooxan-4-yl)methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanooxan-4-yl)methanesulfonamide is sourced from PubChem (CID 75480673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).