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

C10H24N2O3S — CID 79850353

IUPAC3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-4-11-10(5-7-13)9-12(2)6-8-16(3,14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyPOIIFSKUAFMSAF-UHFFFAOYSA-N
MW252.38 g/mol
LogP-0.68
Rot. Bonds9

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

3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol (PubChem CID 79850353) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
PubChem CID79850353
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-4-11-10(5-7-13)9-12(2)6-8-16(3,14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyPOIIFSKUAFMSAF-UHFFFAOYSA-N
XLogP-0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
1-N-methyl-1-N-(2-methylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 79850617
2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
CID 79849960
3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898163
4-(dipropylamino)-3-(ethylamino)butan-1-ol
CID 64899669
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79850305
4-[cyclohexylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897747
N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
CID 62604483
1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
CID 79086946
3-N-ethyl-1-N,2,2-trimethyl-1-N-(2-methylsulfonylethyl)butane-1,3-diamine
CID 79858101
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64900116

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol (CID 79850353) is 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol is CCNC(CCO)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
The InChIKey is POIIFSKUAFMSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-4-11-10(5-7-13)9-12(2)6-8-16(3,14)15/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol?
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol has a molecular weight of 252.38 g/mol, XLogP of -0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol is sourced from PubChem (CID 79850353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).