N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine

C9H17N3O2S — CID 94685401

IUPACN,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
SMILESCN(C)CCCn1ccnc1S(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-11(2)6-4-7-12-8-5-10-9(12)15(3,13)14/h5,8H,4,6-7H2,1-3H3
InChIKeyXUPIIIMDUZWHFA-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.24
Rot. Bonds5

About N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine

N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine (PubChem CID 94685401) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
PubChem CID94685401
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
SMILESCN(C)CCCn1ccnc1S(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-11(2)6-4-7-12-8-5-10-9(12)15(3,13)14/h5,8H,4,6-7H2,1-3H3
InChIKeyXUPIIIMDUZWHFA-UHFFFAOYSA-N
XLogP0.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
CID 86791784
N,N-dimethyl-3-(1-methylimidazol-2-yl)sulfonylpropan-1-amine
CID 141130547
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
CID 82558780
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
N-tert-butyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
CID 71981258
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82562393
2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 167885409

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine (CID 94685401) is N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine is CN(C)CCCn1ccnc1S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine?
The InChIKey is XUPIIIMDUZWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-11(2)6-4-7-12-8-5-10-9(12)15(3,13)14/h5,8H,4,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine?
N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine has a molecular weight of 231.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 94685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).