N-[(1-methylimidazol-2-yl)methyl]thian-3-amine

C10H17N3S — CID 63292249

IUPACN-[(1-methylimidazol-2-yl)methyl]thian-3-amine
SMILESCn1ccnc1CNC1CCCSC1
InChIInChI=1S/C10H17N3S/c1-13-5-4-11-10(13)7-12-9-3-2-6-14-8-9/h4-5,9,12H,2-3,6-8H2,1H3
InChIKeyALJYZEFOEZLQEW-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.41
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]thian-3-amine

N-[(1-methylimidazol-2-yl)methyl]thian-3-amine (PubChem CID 63292249) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]thian-3-amine
PubChem CID63292249
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]thian-3-amine
SMILESCn1ccnc1CNC1CCCSC1
InChIInChI=1S/C10H17N3S/c1-13-5-4-11-10(13)7-12-9-3-2-6-14-8-9/h4-5,9,12H,2-3,6-8H2,1H3
InChIKeyALJYZEFOEZLQEW-UHFFFAOYSA-N
XLogP1.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
CID 131140778
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
CID 128976202

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]thian-3-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]thian-3-amine (CID 63292249) is N-[(1-methylimidazol-2-yl)methyl]thian-3-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]thian-3-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]thian-3-amine is Cn1ccnc1CNC1CCCSC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]thian-3-amine?
The InChIKey is ALJYZEFOEZLQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-5-4-11-10(13)7-12-9-3-2-6-14-8-9/h4-5,9,12H,2-3,6-8H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]thian-3-amine?
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]thian-3-amine is sourced from PubChem (CID 63292249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).