N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide

C14H29N3O3S — CID 115309357

IUPACN-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(CN)C2CCCCC2)CC(C)O1
InChIInChI=1S/C14H29N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-14(8-15)13-6-4-3-5-7-13/h11-14,16H,3-10,15H2,1-2H3
InChIKeyKHAIXBWVJIICEC-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.84
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 115309357) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID115309357
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(CN)C2CCCCC2)CC(C)O1
InChIInChI=1S/C14H29N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-14(8-15)13-6-4-3-5-7-13/h11-14,16H,3-10,15H2,1-2H3
InChIKeyKHAIXBWVJIICEC-UHFFFAOYSA-N
XLogP0.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 115309357) is N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC(CN)C2CCCCC2)CC(C)O1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is KHAIXBWVJIICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-11-9-17(10-12(2)20-11)21(18,19)16-14(8-15)13-6-4-3-5-7-13/h11-14,16H,3-10,15H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 115309357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).