3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol

C9H21NO3S — CID 153362831

IUPAC3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol
SMILESCCC(NC)C(O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-5-8(10-4)9(11)6-14(12,13)7(2)3/h7-11H,5-6H2,1-4H3
InChIKeyVQZOWGIAYMPYBI-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds6

About 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol

3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol (PubChem CID 153362831) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol.

Molecular Properties

Compound Name3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol
PubChem CID153362831
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol
SMILESCCC(NC)C(O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-5-8(10-4)9(11)6-14(12,13)7(2)3/h7-11H,5-6H2,1-4H3
InChIKeyVQZOWGIAYMPYBI-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-(methylamino)hexan-3-ol
CID 142067249
2,3-dimethyl-1-propan-2-ylsulfonylpentane
CID 166894384
2-butan-2-ylsulfonyl-N-methylpentan-3-amine
CID 64645279
N,4-dimethylhexan-3-amine
CID 63559808
(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
CID 58573491
N-(3-hydroxypentan-2-yl)methanesulfonamide
CID 131228014
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
2-(methylamino)pentane-1,3-diol;hydrobromide
CID 174751065
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N-methyl-1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
CID 107759125
4-ethyl-N-methylhexan-3-amine
CID 79307570

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol?
The IUPAC name of 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol (CID 153362831) is 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol.
What is the SMILES notation for 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol?
The canonical SMILES for 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol is CCC(NC)C(O)CS(=O)(=O)C(C)C.
What is the InChIKey of 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol?
The InChIKey is VQZOWGIAYMPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-5-8(10-4)9(11)6-14(12,13)7(2)3/h7-11H,5-6H2,1-4H3.
What are the key properties of 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol?
3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol is sourced from PubChem (CID 153362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).