1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol

C9H21NO3S — CID 106734200

IUPAC1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
SMILESCCNCC(O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-4-10-7-9(11)5-6-14(12,13)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyDMIFZWUBLJTOOW-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds7

About 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol

1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol (PubChem CID 106734200) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
PubChem CID106734200
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
SMILESCCNCC(O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-4-10-7-9(11)5-6-14(12,13)8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyDMIFZWUBLJTOOW-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
1-(ethylamino)hexan-2-ol
CID 54078804
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
1-(ethylamino)octan-2-ol
CID 62774096
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
1-amino-3-(ethylamino)propan-2-ol
CID 20604769

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol?
The IUPAC name of 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol (CID 106734200) is 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol.
What is the SMILES notation for 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol?
The canonical SMILES for 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol is CCNCC(O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol?
The InChIKey is DMIFZWUBLJTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-10-7-9(11)5-6-14(12,13)8(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol?
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol is sourced from PubChem (CID 106734200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).