1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine

C11H25NO3S — CID 114984093

IUPAC1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
SMILESCCCNC(CCOCC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-4-8-12-11(6-9-15-5-2)7-10-16(3,13)14/h11-12H,4-10H2,1-3H3
InChIKeyKYTPTXHSTDERRF-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.22
Rot. Bonds10

About 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine

1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine (PubChem CID 114984093) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
PubChem CID114984093
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
SMILESCCCNC(CCOCC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-4-8-12-11(6-9-15-5-2)7-10-16(3,13)14/h11-12H,4-10H2,1-3H3
InChIKeyKYTPTXHSTDERRF-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
CID 114984289
1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113116
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
5,7,7-trimethyl-1-methylsulfonyl-N-propyloctan-3-amine
CID 115848596
N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
CID 62604483
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-ethoxy-N-propylbutan-2-amine
CID 62040391
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine?
The IUPAC name of 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine (CID 114984093) is 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine?
The canonical SMILES for 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine is CCCNC(CCOCC)CCS(C)(=O)=O.
What is the InChIKey of 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine?
The InChIKey is KYTPTXHSTDERRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-8-12-11(6-9-15-5-2)7-10-16(3,13)14/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine?
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine is sourced from PubChem (CID 114984093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).