N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide

C10H22N2O3S — CID 63290314

IUPACN-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyJHSBJJYUDCYCSL-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide

N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide (PubChem CID 63290314) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
PubChem CID63290314
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyJHSBJJYUDCYCSL-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide (CID 63290314) is N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is JHSBJJYUDCYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-10-5-3-9(11)4-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide?
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).