1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

C7H16N2O3S — CID 20604768

IUPAC1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESNCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2
InChIKeyRMRXMAWUAUWXQB-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.96
Rot. Bonds3

About 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (PubChem CID 20604768) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
PubChem CID20604768
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESNCC(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2
InChIKeyRMRXMAWUAUWXQB-UHFFFAOYSA-N
XLogP-1.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
1-[4-(aminomethyl)phenoxy]-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581219
2-[4-(3-amino-2-hydroxypropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
CID 85360091
1-(3-aminophenoxy)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581117
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490
1-amino-3-(5-azaspiro[2.3]hexan-5-yl)propan-2-ol
CID 131110917
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82023470
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (CID 20604768) is 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is NCC(O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The InChIKey is RMRXMAWUAUWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-5-7(10)6-9-1-3-13(11,12)4-2-9/h7,10H,1-6,8H2.
What are the key properties of 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol has a molecular weight of 208.28 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is sourced from PubChem (CID 20604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).