2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine

C9H21NO3S — CID 106513190

IUPAC2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)10-7-9(3)14(11,12)6-5-13-4/h8-10H,5-7H2,1-4H3
InChIKeyYATPAZCZCWWVKB-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.43
Rot. Bonds7

About 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine

2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106513190) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
PubChem CID106513190
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)10-7-9(3)14(11,12)6-5-13-4/h8-10H,5-7H2,1-4H3
InChIKeyYATPAZCZCWWVKB-UHFFFAOYSA-N
XLogP0.43
TPSA55.40 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-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

N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
CID 64646902
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757377
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
4-(3-methoxypropylsulfonyl)-N-methylpentan-2-amine
CID 64704596
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
4-methoxy-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015723
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine (CID 106513190) is 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine is COCCS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is YATPAZCZCWWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)10-7-9(3)14(11,12)6-5-13-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine?
2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106513190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).