1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide

C8H14N2O3S — CID 103850392

IUPAC1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCOCC1CC1
InChIInChI=1S/C8H14N2O3S/c9-3-6-14(11,12)10-4-5-13-7-8-1-2-8/h8,10H,1-2,4-7H2
InChIKeyJGWYARKCUBIOBF-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.14
Rot. Bonds7

About 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide

1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide (PubChem CID 103850392) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide
PubChem CID103850392
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCOCC1CC1
InChIInChI=1S/C8H14N2O3S/c9-3-6-14(11,12)10-4-5-13-7-8-1-2-8/h8,10H,1-2,4-7H2
InChIKeyJGWYARKCUBIOBF-UHFFFAOYSA-N
XLogP-0.14
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106127281
1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600508
N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
CID 64989285
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111392351
3-(cyclopentylmethoxy)propanenitrile
CID 66324120
5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
CID 114098349
4-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylbenzenesulfonamide
CID 106832968
N-[3-(cyclopropylmethoxy)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38257447
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
CID 103748795
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide (CID 103850392) is 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide is N#CCS(=O)(=O)NCCOCC1CC1.
What is the InChIKey of 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide?
The InChIKey is JGWYARKCUBIOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c9-3-6-14(11,12)10-4-5-13-7-8-1-2-8/h8,10H,1-2,4-7H2.
What are the key properties of 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide?
1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 103850392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).