N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine

C10H17N3S — CID 107295484

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1ncc(CNCC2CCSC2)[nH]1
InChIInChI=1S/C10H17N3S/c1-8-12-6-10(13-8)5-11-4-9-2-3-14-7-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHQKXFUREVGEKAC-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.56
Rot. Bonds4

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107295484) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107295484
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1ncc(CNCC2CCSC2)[nH]1
InChIInChI=1S/C10H17N3S/c1-8-12-6-10(13-8)5-11-4-9-2-3-14-7-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHQKXFUREVGEKAC-UHFFFAOYSA-N
XLogP1.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
1-(2-methylcyclopentyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 107417635
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107166073
N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
N-[(1-methyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166795
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295493

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine (CID 107295484) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine is Cc1ncc(CNCC2CCSC2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is HQKXFUREVGEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12-6-10(13-8)5-11-4-9-2-3-14-7-9/h6,9,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107295484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).