N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide

C13H26N2O3S — CID 62048240

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11-2-6-13(10-14,7-3-11)15-19(16,17)12-4-8-18-9-5-12/h11-12,15H,2-10,14H2,1H3
InChIKeyLRVXRHCRZFZBQQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide (PubChem CID 62048240) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide
PubChem CID62048240
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11-2-6-13(10-14,7-3-11)15-19(16,17)12-4-8-18-9-5-12/h11-12,15H,2-10,14H2,1H3
InChIKeyLRVXRHCRZFZBQQ-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide (CID 62048240) is N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide is CC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide?
The InChIKey is LRVXRHCRZFZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-2-6-13(10-14,7-3-11)15-19(16,17)12-4-8-18-9-5-12/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide is sourced from PubChem (CID 62048240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).