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

C8H17NO2S — CID 176810874

IUPAC(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
SMILESCC(C)N[C@@H]1CCCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-8-4-3-5-12(10,11)6-8/h7-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWYEWERDIORCRKP-MRVPVSSYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

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

(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine (PubChem CID 176810874) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
PubChem CID176810874
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
SMILESCC(C)N[C@@H]1CCCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-8-4-3-5-12(10,11)6-8/h7-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWYEWERDIORCRKP-MRVPVSSYSA-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

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
CID 115901106
3-[(1,1-dioxothian-3-yl)amino]butanenitrile
CID 63922147
N-heptan-2-yl-1,1-dioxothian-3-amine
CID 63911252
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-[1-(2,6-difluorophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63922629
1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine
CID 79540198
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1-dioxothian-3-amine
CID 63924297
3-[(1,1-dioxothian-3-yl)amino]-N'-hydroxybutanimidamide
CID 77028702

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine?
The IUPAC name of (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine (CID 176810874) is (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine.
What is the SMILES notation for (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine?
The canonical SMILES for (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine is CC(C)N[C@@H]1CCCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine?
The InChIKey is WYEWERDIORCRKP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9-8-4-3-5-12(10,11)6-8/h7-9H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine?
(3R)-1,1-dioxo-N-propan-2-ylthian-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 (3R)-1,1-dioxo-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 176810874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).