1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine

C11H21NO2S2 — CID 115901039

IUPAC1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine
SMILESO=S1(=O)CCCC(NCC2CCSCC2)C1
InChIInChI=1S/C11H21NO2S2/c13-16(14)7-1-2-11(9-16)12-8-10-3-5-15-6-4-10/h10-12H,1-9H2
InChIKeyIEGDHSXAUGDWOI-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.30
Rot. Bonds3

About 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine

1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine (PubChem CID 115901039) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine
PubChem CID115901039
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC Name1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine
SMILESO=S1(=O)CCCC(NCC2CCSCC2)C1
InChIInChI=1S/C11H21NO2S2/c13-16(14)7-1-2-11(9-16)12-8-10-3-5-15-6-4-10/h10-12H,1-9H2
InChIKeyIEGDHSXAUGDWOI-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
N-[(3-methylcyclopentyl)methyl]-1,1-dioxothian-3-amine
CID 107411501
N-[(3,3-difluorocyclopentyl)methyl]-1,1-dioxothian-3-amine
CID 114150616
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
1,1-dioxo-N-(thian-2-ylmethyl)thiolan-3-amine
CID 80599834

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine?
The IUPAC name of 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine (CID 115901039) is 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine?
The canonical SMILES for 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine is O=S1(=O)CCCC(NCC2CCSCC2)C1.
What is the InChIKey of 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine?
The InChIKey is IEGDHSXAUGDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S2/c13-16(14)7-1-2-11(9-16)12-8-10-3-5-15-6-4-10/h10-12H,1-9H2.
What are the key properties of 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine?
1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine has a molecular weight of 263.43 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine is sourced from PubChem (CID 115901039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).