2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine

C9H21NO3S — CID 64696559

IUPAC2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-13-9(5-10)7-14(11,12)6-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyHLRLECZSNPELNZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.42
Rot. Bonds7

About 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine

2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine (PubChem CID 64696559) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
PubChem CID64696559
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-13-9(5-10)7-14(11,12)6-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyHLRLECZSNPELNZ-UHFFFAOYSA-N
XLogP0.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(3-amino-2-ethoxypropyl)sulfonylacetate
CID 116688168
4-butylsulfonyl-2-ethoxybutan-1-amine
CID 64696379
2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
CID 107766945
3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
3-(4-tert-butylphenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697398
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
CID 81328055
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
CID 66221977

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine (CID 64696559) is 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine is CCOC(CN)CS(=O)(=O)CC(C)C.
What is the InChIKey of 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine?
The InChIKey is HLRLECZSNPELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-13-9(5-10)7-14(11,12)6-8(2)3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine?
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine is sourced from PubChem (CID 64696559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).