(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

C8H17NO2S — CID 167913931

IUPAC(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZIGPNBPMROZNLE-HTQZYQBOSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

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

(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (PubChem CID 167913931) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
PubChem CID167913931
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZIGPNBPMROZNLE-HTQZYQBOSA-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-(Cyclopentylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16247866
3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
3-({2-[Bis(propan-2-yl)amino]ethyl}amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247645
(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817
3-[(Butylthiothioxomethyl)amino]thiolane-1,1-dione
CID 2831155
N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine hydrochloride
CID 6603363

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (CID 167913931) is (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is CC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The InChIKey is ZIGPNBPMROZNLE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
(2R,3R)-2-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 (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 167913931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).