N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine

C13H27NO4S — CID 107756897

IUPACN-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
SMILESCCOCCCNCC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C13H27NO4S/c1-4-17-8-5-7-14-10-11(2)19(15,16)13-6-9-18-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyYUBSOBNLOLGIBQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.98
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine

N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine (PubChem CID 107756897) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
PubChem CID107756897
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC NameN-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
SMILESCCOCCCNCC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C13H27NO4S/c1-4-17-8-5-7-14-10-11(2)19(15,16)13-6-9-18-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyYUBSOBNLOLGIBQ-UHFFFAOYSA-N
XLogP0.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
CID 107764075
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756995
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224
N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754362
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-(3-ethoxypropyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004023
2-cyclobutyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62582894

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine (CID 107756897) is N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine is CCOCCCNCC(C)S(=O)(=O)C1CCOC1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The InChIKey is YUBSOBNLOLGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-4-17-8-5-7-14-10-11(2)19(15,16)13-6-9-18-12(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2-methyloxolan-3-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 107756897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).