3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol

C9H22N2O4S — CID 114357469

IUPAC3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
SMILESCOCC(N)C(CO)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S/c1-11(4-5-16(3,13)14)9(6-12)8(10)7-15-2/h8-9,12H,4-7,10H2,1-3H3
InChIKeyWTAWXOCFTPWBLA-UHFFFAOYSA-N
MW254.35 g/mol
LogP-1.70
Rot. Bonds8

About 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol

3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol (PubChem CID 114357469) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
PubChem CID114357469
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC Name3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
SMILESCOCC(N)C(CO)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S/c1-11(4-5-16(3,13)14)9(6-12)8(10)7-15-2/h8-9,12H,4-7,10H2,1-3H3
InChIKeyWTAWXOCFTPWBLA-UHFFFAOYSA-N
XLogP-1.70
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555276
N'-butan-2-yl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62556304
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62557865
4-[2-[2-Methoxyethyl(methyl)amino]ethylamino]-1,1-dioxothiolan-3-ol
CID 62845204
1-N-(2-ethylsulfonylethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761341
3-methoxy-1-N-methyl-1-N-(3-methylsulfonylpropyl)propane-1,2-diamine
CID 63761502
3-methoxy-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 63761530
3-(Methylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79849623
4-[Methyl(2-methylsulfonylethyl)amino]-3-(propylamino)butan-1-ol
CID 79849718
3-Amino-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850252
3-(Ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
3-Amino-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850631

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol (CID 114357469) is 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol is COCC(N)C(CO)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The InChIKey is WTAWXOCFTPWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S/c1-11(4-5-16(3,13)14)9(6-12)8(10)7-15-2/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol has a molecular weight of 254.35 g/mol, XLogP of -1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol is sourced from PubChem (CID 114357469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).