N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine

C10H19N3O2S — CID 106717648

IUPACN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
SMILESCNCc1nccn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-9(2)16(14,15)7-6-13-5-4-12-10(13)8-11-3/h4-5,9,11H,6-8H2,1-3H3
InChIKeyUDHCCFFKDJDWLO-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.43
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine

N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine (PubChem CID 106717648) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
PubChem CID106717648
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
SMILESCNCc1nccn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-9(2)16(14,15)7-6-13-5-4-12-10(13)8-11-3/h4-5,9,11H,6-8H2,1-3H3
InChIKeyUDHCCFFKDJDWLO-UHFFFAOYSA-N
XLogP0.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
CID 103857951
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
1-(2-propan-2-ylsulfonylethyl)imidazole-2-carbothioamide
CID 106730730
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
CID 106732104
1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
CID 82907641
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine (CID 106717648) is N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine is CNCc1nccn1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine?
The InChIKey is UDHCCFFKDJDWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)16(14,15)7-6-13-5-4-12-10(13)8-11-3/h4-5,9,11H,6-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine?
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine has a molecular weight of 245.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine is sourced from PubChem (CID 106717648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).