[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine

C9H18N2O2S2 — CID 43581316

IUPAC[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCSC1
InChIInChI=1S/C9H18N2O2S2/c10-7-9(1-4-14-8-9)11-2-5-15(12,13)6-3-11/h1-8,10H2
InChIKeyXCBVDBDPXVDYEP-UHFFFAOYSA-N
MW250.39 g/mol
LogP-0.45
Rot. Bonds2

About [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine

[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine (PubChem CID 43581316) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine
PubChem CID43581316
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCSC1
InChIInChI=1S/C9H18N2O2S2/c10-7-9(1-4-14-8-9)11-2-5-15(12,13)6-3-11/h1-8,10H2
InChIKeyXCBVDBDPXVDYEP-UHFFFAOYSA-N
XLogP-0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
[1,1-Dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 63162948
3-Fluoro-3-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
CID 126845943
4-(1-Amino-2-methylpropan-2-yl)thiomorpholine 1,1-dioxide
CID 43581323
3-(4-Tert-butylpiperazin-1-yl)thiolane 1,1-dioxide
CID 117799576
3-[4-(2-Methylbutan-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 156449710
(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 2052679
(3R,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 2052681
1,1-Dioxo-4-piperidin-1-ylthiolan-3-amine
CID 3683971
(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 6358568
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
(3S)-3-piperazine-1,4-diium-1-ylthiolane 1,1-dioxide
CID 7129120

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine (CID 43581316) is [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine is NCC1(N2CCS(=O)(=O)CC2)CCSC1.
What is the InChIKey of [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine?
The InChIKey is XCBVDBDPXVDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c10-7-9(1-4-14-8-9)11-2-5-15(12,13)6-3-11/h1-8,10H2.
What are the key properties of [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine?
[3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-1,4-thiazinan-4-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 43581316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).