N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide

C10H19NO3S — CID 167898151

IUPACN-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h2,11-12H,1,3-9H2
InChIKeyIWNAGHIYAHGBTA-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.13
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide

N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide (PubChem CID 167898151) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
PubChem CID167898151
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h2,11-12H,1,3-9H2
InChIKeyIWNAGHIYAHGBTA-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
CID 167976353
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
1-[(cyclopropylsulfamoylamino)methyl]cyclopentan-1-ol
CID 114383287
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
1-prop-2-enylcyclooctan-1-ol
CID 12640793

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide (CID 167898151) is N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide?
The InChIKey is IWNAGHIYAHGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h2,11-12H,1,3-9H2.
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide?
N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide is sourced from PubChem (CID 167898151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).