(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane

C12H24N2O4S — CID 124850646

IUPAC(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O
InChIInChI=1S/C12H24N2O4S/c1-14(2)19(16,17)13-9-10-3-4-12(11(10)15)5-7-18-8-6-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyQWHFWCGWZCQSMK-QWRGUYRKSA-N
MW292.40 g/mol
LogP-0.05
Rot. Bonds4

About (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane

(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane (PubChem CID 124850646) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane
PubChem CID124850646
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O
InChIInChI=1S/C12H24N2O4S/c1-14(2)19(16,17)13-9-10-3-4-12(11(10)15)5-7-18-8-6-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyQWHFWCGWZCQSMK-QWRGUYRKSA-N
XLogP-0.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide
CID 128527314
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526211
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476
4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
CID 56797555
(1S,3aS,6aS)-1-[(dimethylsulfamoylamino)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 146043161
3-[(dimethylsulfamoylamino)methyl]-2-(4-methylphenyl)oxane
CID 71992982
4-cyano-4-(dimethylsulfamoylamino)oxane
CID 82290117
4-(aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876
4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
CID 56797554
(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124872834
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
2-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120822881

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane?
The IUPAC name of (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane (CID 124850646) is (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane.
What is the SMILES notation for (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane?
The canonical SMILES for (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane is CN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O.
What is the InChIKey of (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane?
The InChIKey is QWHFWCGWZCQSMK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-14(2)19(16,17)13-9-10-3-4-12(11(10)15)5-7-18-8-6-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane?
(3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane has a molecular weight of 292.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(dimethylsulfamoylamino)methyl]-4-hydroxy-8-oxaspiro[4.5]decane is sourced from PubChem (CID 124850646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).