2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C12H24N2O3S — CID 55088802

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(9-13-10-12-3-2-6-17-12)14-4-7-18(15,16)8-5-14/h11-13H,2-10H2,1H3
InChIKeyGSYDNASHILMFBJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55088802) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55088802
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(9-13-10-12-3-2-6-17-12)14-4-7-18(15,16)8-5-14/h11-13H,2-10H2,1H3
InChIKeyGSYDNASHILMFBJ-UHFFFAOYSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(1-Methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 146622646
4-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide
CID 9284201
4-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9284202
4-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide
CID 9284203
4-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9284204
4-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide
CID 9284205
4-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9284206
4-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide
CID 9284207
4-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9284208
1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 43511560
1,1-dioxo-N-[1-(oxolan-2-yl)ethyl]thian-4-amine
CID 43511700
2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 43807670

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55088802) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is GSYDNASHILMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(9-13-10-12-3-2-6-17-12)14-4-7-18(15,16)8-5-14/h11-13H,2-10H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55088802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).