N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine

C14H20N2O2S3 — CID 52601167

IUPACN-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H20N2O2S3/c1-12(2)15(3)21(17,18)16(10-13-6-4-8-19-13)11-14-7-5-9-20-14/h4-9,12H,10-11H2,1-3H3
InChIKeyBDQYZLSOTFOOHA-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.40
Rot. Bonds7

About N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine

N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine (PubChem CID 52601167) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
PubChem CID52601167
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC NameN-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H20N2O2S3/c1-12(2)15(3)21(17,18)16(10-13-6-4-8-19-13)11-14-7-5-9-20-14/h4-9,12H,10-11H2,1-3H3
InChIKeyBDQYZLSOTFOOHA-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine?
The IUPAC name of N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine (CID 52601167) is N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine is CC(C)N(C)S(=O)(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine?
The InChIKey is BDQYZLSOTFOOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-12(2)15(3)21(17,18)16(10-13-6-4-8-19-13)11-14-7-5-9-20-14/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine?
N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine has a molecular weight of 344.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine is sourced from PubChem (CID 52601167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).