(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol

C8H17NO3S — CID 126975442

IUPAC(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyBOZBOXDPZJZEGD-QMMMGPOBSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds3

About (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol

(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 126975442) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID126975442
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyBOZBOXDPZJZEGD-QMMMGPOBSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 20604768
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
2-hydroxy-3-[4-(2-hydroxybutyl)piperazin-1-yl]propane-1-sulfonic acid
CID 156729822
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
1-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721625

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 126975442) is (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CC[C@H](O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is BOZBOXDPZJZEGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-8(10)7-9-3-5-13(11,12)6-4-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 207.29 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 (2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 126975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).