(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol

C9H21NO3S — CID 79254407

IUPAC(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCC(CS(C)(=O)=O)N[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO3S/c1-7(2)9(5-11)10-8(3)6-14(4,12)13/h7-11H,5-6H2,1-4H3/t8?,9-/m1/s1
InChIKeyNMFBYTMHIYMMMH-YGPZHTELSA-N
MW223.34 g/mol
LogP0.03
Rot. Bonds6

About (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol

(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol (PubChem CID 79254407) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
PubChem CID79254407
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCC(CS(C)(=O)=O)N[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO3S/c1-7(2)9(5-11)10-8(3)6-14(4,12)13/h7-11H,5-6H2,1-4H3/t8?,9-/m1/s1
InChIKeyNMFBYTMHIYMMMH-YGPZHTELSA-N
XLogP0.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
1-N,1-N,3-trimethyl-2-N-(1-methylsulfonylpropan-2-yl)butane-1,2-diamine
CID 64630157
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol (CID 79254407) is (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol is CC(CS(C)(=O)=O)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The InChIKey is NMFBYTMHIYMMMH-YGPZHTELSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-7(2)9(5-11)10-8(3)6-14(4,12)13/h7-11H,5-6H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol has a molecular weight of 223.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 79254407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).