N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide

C7H15NO3S2 — CID 130645691

IUPACN-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(O)CCSCC1
InChIInChI=1S/C7H15NO3S2/c1-13(10,11)8-6-7(9)2-4-12-5-3-7/h8-9H,2-6H2,1H3
InChIKeyIDCVDGBGADTVFY-UHFFFAOYSA-N
MW225.33 g/mol
LogP-0.21
Rot. Bonds3

About N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide

N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide (PubChem CID 130645691) has the molecular formula C7H15NO3S2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
PubChem CID130645691
Molecular FormulaC7H15NO3S2
Molecular Weight225.33 g/mol
Exact Mass225.05
IUPAC NameN-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(O)CCSCC1
InChIInChI=1S/C7H15NO3S2/c1-13(10,11)8-6-7(9)2-4-12-5-3-7/h8-9H,2-6H2,1H3
InChIKeyIDCVDGBGADTVFY-UHFFFAOYSA-N
XLogP-0.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-4-hydroxy-1lambda6-thiane-1,1-dione
CID 53536954
4-Hydroxy-4-[(methylamino)methyl]-1lambda6-thiane-1,1-dione
CID 62773519
4-(Aminomethyl)tetrahydro-1-thiapyran-4-ol-1,1-dioxide hcl
CID 66846817
4-(Aminomethyl)-1-oxothian-4-ol
CID 89607922
N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-sulfonamide
CID 65112913
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113458
3-(Aminomethyl)-1-methylsulfonylpentan-3-ol
CID 81874061
N-((4-methoxytetrahydro-2H-thiopyran-4-yl)methyl)methanesulfonamide
CID 91816796
N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 103835249
4-(1-Aminoethyl)-1,1-dioxothian-4-ol
CID 105447453
4-[(Methoxyamino)methyl]-1,1-dioxothian-4-ol
CID 130605436

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide (CID 130645691) is N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NCC1(O)CCSCC1.
What is the InChIKey of N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide?
The InChIKey is IDCVDGBGADTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S2/c1-13(10,11)8-6-7(9)2-4-12-5-3-7/h8-9H,2-6H2,1H3.
What are the key properties of N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide?
N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide has a molecular weight of 225.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 130645691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).