3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride

C7H17ClN2O2S — CID 71758161

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S.ClH/c8-2-1-3-9-4-6-12(10,11)7-5-9;/h1-8H2;1H
InChIKeyKHPVSAOPCZVPDS-UHFFFAOYSA-N
MW228.74 g/mol
LogP-0.51
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride

3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride (PubChem CID 71758161) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride
PubChem CID71758161
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S.ClH/c8-2-1-3-9-4-6-12(10,11)7-5-9;/h1-8H2;1H
InChIKeyKHPVSAOPCZVPDS-UHFFFAOYSA-N
XLogP-0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 5-0.51
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
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
2-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75421030
2,6-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 86775308
(2S)-2-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137833664
2,2-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 146049467
4-(3-Amino-2,2-difluoropropyl)-1lambda6-thiomorpholine-1,1-dione
CID 114384550
4-(2-Aminoethyl)-1
CID 2760617
4-(3-Aminopropyl)-1lambda~4~,4-thiazinan-1-one
CID 24728622
4-(1,1-Dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 43581193
4-(2-Aminopropyl)-1,4-thiazaperhydroine-1,1-dione
CID 43581610
(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
CID 57851550

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride (CID 71758161) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride is Cl.NCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride?
The InChIKey is KHPVSAOPCZVPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c8-2-1-3-9-4-6-12(10,11)7-5-9;/h1-8H2;1H.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride?
3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of -0.51, 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)propan-1-amine;hydrochloride is sourced from PubChem (CID 71758161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).