3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine

C8H18N2O2S — CID 60914870

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESCC(CCN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2-3-9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3
InChIKeyVNLRNVJARSMZTB-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.55
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (PubChem CID 60914870) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
PubChem CID60914870
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESCC(CCN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2-3-9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3
InChIKeyVNLRNVJARSMZTB-UHFFFAOYSA-N
XLogP-0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Aminopropyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 24728054
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(dimethylsulfamoylamino)-1-[(3S)-1,1-dioxothiolan-3-yl]piperidine
CID 129529395
1-(Propane-2-sulfonyl)piperidin-4-amine
CID 21090392
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 43753172
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54932638
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropentan-3-amine
CID 61648026

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (CID 60914870) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is CC(CCN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The InChIKey is VNLRNVJARSMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2-3-9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine has a molecular weight of 206.31 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is sourced from PubChem (CID 60914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).