1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene

C11H18N2O3S — CID 110667288

IUPAC1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(15,16)12-8-4-6-10-5-3-7-11(14)9-10/h3,5,7,9,12,14H,4,6,8H2,1-2H3
InChIKeyCZXQSJQZYWSEAX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.72
Rot. Bonds6

About 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene

1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene (PubChem CID 110667288) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
PubChem CID110667288
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCCCc1cccc(O)c1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(15,16)12-8-4-6-10-5-3-7-11(14)9-10/h3,5,7,9,12,14H,4,6,8H2,1-2H3
InChIKeyCZXQSJQZYWSEAX-UHFFFAOYSA-N
XLogP0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene (CID 110667288) is 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene is CN(C)S(=O)(=O)NCCCc1cccc(O)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene?
The InChIKey is CZXQSJQZYWSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(2)17(15,16)12-8-4-6-10-5-3-7-11(14)9-10/h3,5,7,9,12,14H,4,6,8H2,1-2H3.
What are the key properties of 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene?
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene has a molecular weight of 258.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene is sourced from PubChem (CID 110667288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).