(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol

C9H21NO3S — CID 103914395

IUPAC(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCCS(=O)(=O)CC(C)N[C@H](C)CCO
InChIInChI=1S/C9H21NO3S/c1-4-14(12,13)7-9(3)10-8(2)5-6-11/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyUJEDXLHTDRGMBY-VEDVMXKPSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds7

About (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol

(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol (PubChem CID 103914395) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
PubChem CID103914395
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCCS(=O)(=O)CC(C)N[C@H](C)CCO
InChIInChI=1S/C9H21NO3S/c1-4-14(12,13)7-9(3)10-8(2)5-6-11/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyUJEDXLHTDRGMBY-VEDVMXKPSA-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

3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115900895
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
N-(4-hydroxybutan-2-yl)ethanesulfonamide
CID 78998775
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
CID 83177660
1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
CID 64629299
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol (CID 103914395) is (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol is CCS(=O)(=O)CC(C)N[C@H](C)CCO.
What is the InChIKey of (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol?
The InChIKey is UJEDXLHTDRGMBY-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-14(12,13)7-9(3)10-8(2)5-6-11/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol?
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-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 (3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103914395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).