1,1-dioxo-N-propylthian-4-amine

C8H17NO2S — CID 43511409

IUPAC1,1-dioxo-N-propylthian-4-amine
SMILESCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-2-5-9-8-3-6-12(10,11)7-4-8/h8-9H,2-7H2,1H3
InChIKeyYJVGDGVXLVVZAZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds3

About 1,1-dioxo-N-propylthian-4-amine

1,1-dioxo-N-propylthian-4-amine (PubChem CID 43511409) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1,1-dioxo-N-propylthian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propylthian-4-amine
PubChem CID43511409
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1,1-dioxo-N-propylthian-4-amine
SMILESCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-2-5-9-8-3-6-12(10,11)7-4-8/h8-9H,2-7H2,1H3
InChIKeyYJVGDGVXLVVZAZ-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
Thiosulfuric acid, S-(2-((tetrahydro-2H-thiopyran-4-yl)amino)ethyl) ester, S,S-dioxide
CID 97661
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
4-(methylamino)tetrahydro-2H-thiopyran-1,1-dioxide hydrochloride
CID 50944287
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
N-(1,1-dioxidotetrahydrothien-3-yl)-N-propylamine hydrochloride
CID 9551893
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propylthian-4-amine?
The IUPAC name of 1,1-dioxo-N-propylthian-4-amine (CID 43511409) is 1,1-dioxo-N-propylthian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-propylthian-4-amine?
The canonical SMILES for 1,1-dioxo-N-propylthian-4-amine is CCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-propylthian-4-amine?
The InChIKey is YJVGDGVXLVVZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-5-9-8-3-6-12(10,11)7-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 1,1-dioxo-N-propylthian-4-amine?
1,1-dioxo-N-propylthian-4-amine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propylthian-4-amine is sourced from PubChem (CID 43511409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).