1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine

C11H22N2O2S — CID 43511611

IUPAC1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCCN2CCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)9-3-11(4-10-16)12-5-8-13-6-1-2-7-13/h11-12H,1-10H2
InChIKeyFUISTZNLJJGSMI-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.25
Rot. Bonds4

About 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine

1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine (PubChem CID 43511611) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine
PubChem CID43511611
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCCN2CCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)9-3-11(4-10-16)12-5-8-13-6-1-2-7-13/h11-12H,1-10H2
InChIKeyFUISTZNLJJGSMI-UHFFFAOYSA-N
XLogP0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-({2-[Bis(propan-2-yl)amino]ethyl}amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247645
1-(Tetrahydro-1,1-dioxido-3-thienyl)piperazine dihydrochloride
CID 16248271
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
3-((2-(Dimethylamino)ethyl)amino)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 16247849
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diisopropylethane-1,2-Diamine Hydrochloride
CID 43810439
3-Amino-4-(pyrrolidin-1-yl)-1lambda6-thiolane-1,1-dione
CID 47003157
2-[(Piperazin-1-yl)methyl]-1lambda6-thiolane-1,1-dione dihydrochloride
CID 126812361
3-{[2-(Diethylamino)ethyl]amino}-1lambda6-thiolane-1,1-dione dihydrochloride
CID 132327488
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-[(1,1-dioxothiolan-2-yl)methyl]thian-4-amine
CID 81039391
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine (CID 43511611) is 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine is O=S1(=O)CCC(NCCN2CCCC2)CC1.
What is the InChIKey of 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
The InChIKey is FUISTZNLJJGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15)9-3-11(4-10-16)12-5-8-13-6-1-2-7-13/h11-12H,1-10H2.
What are the key properties of 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine?
1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine has a molecular weight of 246.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine is sourced from PubChem (CID 43511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).