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

C10H23NO3S — CID 115901375

IUPAC3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
SMILESCCC(C)C(CO)NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-5-8(2)10(6-12)11-9(3)7-15(4,13)14/h8-12H,5-7H2,1-4H3
InChIKeyQWPFDOJRVDUXQU-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.42
Rot. Bonds7

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

3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol (PubChem CID 115901375) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
PubChem CID115901375
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
SMILESCCC(C)C(CO)NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-5-8(2)10(6-12)11-9(3)7-15(4,13)14/h8-12H,5-7H2,1-4H3
InChIKeyQWPFDOJRVDUXQU-UHFFFAOYSA-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

2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
1-N,1-N,3-trimethyl-2-N-(1-methylsulfonylpropan-2-yl)butane-1,2-diamine
CID 64630157
2-(heptan-4-ylamino)-3-methylpentan-1-ol
CID 115677280
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine
CID 64631589
(3R)-3-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pentanenitrile
CID 96570669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The IUPAC name of 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol (CID 115901375) is 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol is CCC(C)C(CO)NC(C)CS(C)(=O)=O.
What is the InChIKey of 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The InChIKey is QWPFDOJRVDUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-8(2)10(6-12)11-9(3)7-15(4,13)14/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-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 3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 115901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).