3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol

C10H21NO3S — CID 115901106

IUPAC3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-8(6-12)9(2)11-10-4-3-5-15(13,14)7-10/h8-12H,3-7H2,1-2H3
InChIKeyAFYMYRBMURSWII-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.17
Rot. Bonds4

About 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol

3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol (PubChem CID 115901106) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
PubChem CID115901106
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-8(6-12)9(2)11-10-4-3-5-15(13,14)7-10/h8-12H,3-7H2,1-2H3
InChIKeyAFYMYRBMURSWII-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
3-[(1,1-dioxothian-3-yl)amino]butanenitrile
CID 63922147
3-[(1,1-dioxothian-3-yl)amino]-N'-hydroxybutanimidamide
CID 77028702
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
N-heptan-2-yl-1,1-dioxothian-3-amine
CID 63911252
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol (CID 115901106) is 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol is CC(CO)C(C)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol?
The InChIKey is AFYMYRBMURSWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(6-12)9(2)11-10-4-3-5-15(13,14)7-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol?
3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115901106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).