N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine

C11H19NO2S2 — CID 65246063

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCc1cc(CNC(C)CS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3
InChIKeyDCCZRRWGGOLWLT-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 65246063) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID65246063
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCc1cc(CNC(C)CS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3
InChIKeyDCCZRRWGGOLWLT-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
CID 115891774
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608992
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine (CID 65246063) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine is Cc1cc(CNC(C)CS(C)(=O)=O)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is DCCZRRWGGOLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 65246063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).