N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine

C11H21N3OS — CID 115901512

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
SMILESCC(NCCC(C)S(C)=O)c1nccn1C
InChIInChI=1S/C11H21N3OS/c1-9(16(4)15)5-6-12-10(2)11-13-7-8-14(11)3/h7-10,12H,5-6H2,1-4H3
InChIKeyBOICWWVPVJKDLS-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.23
Rot. Bonds6

About N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine

N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine (PubChem CID 115901512) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
PubChem CID115901512
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
SMILESCC(NCCC(C)S(C)=O)c1nccn1C
InChIInChI=1S/C11H21N3OS/c1-9(16(4)15)5-6-12-10(2)11-13-7-8-14(11)3/h7-10,12H,5-6H2,1-4H3
InChIKeyBOICWWVPVJKDLS-UHFFFAOYSA-N
XLogP1.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81019534
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
CID 103914331
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine (CID 115901512) is N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine is CC(NCCC(C)S(C)=O)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The InChIKey is BOICWWVPVJKDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(16(4)15)5-6-12-10(2)11-13-7-8-14(11)3/h7-10,12H,5-6H2,1-4H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine is sourced from PubChem (CID 115901512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).