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

C9H21NO3S — CID 115901107

IUPAC2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCC(CS(C)(=O)=O)NC(C)C(C)CO
InChIInChI=1S/C9H21NO3S/c1-7(5-11)9(3)10-8(2)6-14(4,12)13/h7-11H,5-6H2,1-4H3
InChIKeyFFFHJUHUVUHEKY-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.03
Rot. Bonds6

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

2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol (PubChem CID 115901107) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
PubChem CID115901107
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
SMILESCC(CS(C)(=O)=O)NC(C)C(C)CO
InChIInChI=1S/C9H21NO3S/c1-7(5-11)9(3)10-8(2)6-14(4,12)13/h7-11H,5-6H2,1-4H3
InChIKeyFFFHJUHUVUHEKY-UHFFFAOYSA-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)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine
CID 64631589
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
2-(1-methylsulfonylpropan-2-ylamino)-N-propan-2-ylpropanamide
CID 64644161
N-[(1S)-1-cyclopentylethyl]-1-methylsulfonylpropan-2-amine
CID 81385766
1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol (CID 115901107) is 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol is CC(CS(C)(=O)=O)NC(C)C(C)CO.
What is the InChIKey of 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
The InChIKey is FFFHJUHUVUHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-7(5-11)9(3)10-8(2)6-14(4,12)13/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol?
2-methyl-3-(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 2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 115901107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).