N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

C10H18N2O3S — CID 55219929

IUPACN-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(CC#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18N2O3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-4,6-9H2,1H3
InChIKeyAMCKTEFAOGNQFI-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.73
Rot. Bonds6

About N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (PubChem CID 55219929) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
PubChem CID55219929
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(CC#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18N2O3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-4,6-9H2,1H3
InChIKeyAMCKTEFAOGNQFI-UHFFFAOYSA-N
XLogP0.73
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The IUPAC name of N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (CID 55219929) is N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is CCCN(CC#N)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The InChIKey is AMCKTEFAOGNQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-6-12(7-5-11)16(13,14)9-10-4-3-8-15-10/h10H,2-4,6-9H2,1H3.
What are the key properties of N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is sourced from PubChem (CID 55219929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).