N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide

C14H28N2O2S — CID 58821284

IUPACN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESCC(C)NC1(CN(C)S(=O)(=O)C2CC2)CCCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(2)15-14(9-5-4-6-10-14)11-16(3)19(17,18)13-7-8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJWVLWKYIDFNGSP-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide

N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide (PubChem CID 58821284) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide
PubChem CID58821284
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESCC(C)NC1(CN(C)S(=O)(=O)C2CC2)CCCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(2)15-14(9-5-4-6-10-14)11-16(3)19(17,18)13-7-8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJWVLWKYIDFNGSP-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide (CID 58821284) is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide is CC(C)NC1(CN(C)S(=O)(=O)C2CC2)CCCCC1.
What is the InChIKey of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide?
The InChIKey is JWVLWKYIDFNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)15-14(9-5-4-6-10-14)11-16(3)19(17,18)13-7-8-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide?
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 58821284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).