(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol

C10H23NO3S — CID 114987230

IUPAC(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
SMILESCCS(=O)(=O)CC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)7-9(4)11-10(6-12)8(2)3/h8-12H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeyGTLDHJGESMXSCR-QVDQXJPCSA-N
MW237.36 g/mol
LogP0.42
Rot. Bonds7

About (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol

(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 114987230) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
PubChem CID114987230
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
SMILESCCS(=O)(=O)CC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)7-9(4)11-10(6-12)8(2)3/h8-12H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeyGTLDHJGESMXSCR-QVDQXJPCSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594
4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanenitrile
CID 79248876
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol (CID 114987230) is (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol is CCS(=O)(=O)CC(C)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is GTLDHJGESMXSCR-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-15(13,14)7-9(4)11-10(6-12)8(2)3/h8-12H,5-7H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol?
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 237.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 114987230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).