2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene

C9H16N2O3S2 — CID 71911287

IUPAC2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene
SMILESCN(C)S(=O)(=O)NC(CCO)c1cccs1
InChIInChI=1S/C9H16N2O3S2/c1-11(2)16(13,14)10-8(5-6-12)9-4-3-7-15-9/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyNCHGEKZCFPIJET-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.57
Rot. Bonds6

About 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene

2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene (PubChem CID 71911287) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene
PubChem CID71911287
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene
SMILESCN(C)S(=O)(=O)NC(CCO)c1cccs1
InChIInChI=1S/C9H16N2O3S2/c1-11(2)16(13,14)10-8(5-6-12)9-4-3-7-15-9/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyNCHGEKZCFPIJET-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene?
The IUPAC name of 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene (CID 71911287) is 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene.
What is the SMILES notation for 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene?
The canonical SMILES for 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene is CN(C)S(=O)(=O)NC(CCO)c1cccs1.
What is the InChIKey of 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene?
The InChIKey is NCHGEKZCFPIJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-11(2)16(13,14)10-8(5-6-12)9-4-3-7-15-9/h3-4,7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene?
2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene has a molecular weight of 264.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoylamino)-3-hydroxypropyl]thiophene is sourced from PubChem (CID 71911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).