3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

C8H17NO2S — CID 43424950

IUPAC3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-8(3)4-5-12(10,11)6-8/h7,9H,4-6H2,1-3H3
InChIKeyQXIAHZOGBBSBPO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

About 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (PubChem CID 43424950) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
PubChem CID43424950
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-8(3)4-5-12(10,11)6-8/h7,9H,4-6H2,1-3H3
InChIKeyQXIAHZOGBBSBPO-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-Methyl-3-(methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 18559021
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride
CID 76145203
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817
N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine hydrochloride
CID 6603363
3-Methyl-3-(methylamino)thiolane-1,1-dione
CID 3113017
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (CID 43424950) is 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is CC(C)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The InChIKey is QXIAHZOGBBSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9-8(3)4-5-12(10,11)6-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 43424950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).