2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine

C10H17N3S — CID 65498174

IUPAC2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine
SMILESCn1ccnc1SCC1(CCN)CC1
InChIInChI=1S/C10H17N3S/c1-13-7-6-12-9(13)14-8-10(2-3-10)4-5-11/h6-7H,2-5,8,11H2,1H3
InChIKeyOABDWNDIXXOUQM-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine

2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine (PubChem CID 65498174) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine
PubChem CID65498174
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine
SMILESCn1ccnc1SCC1(CCN)CC1
InChIInChI=1S/C10H17N3S/c1-13-7-6-12-9(13)14-8-10(2-3-10)4-5-11/h6-7H,2-5,8,11H2,1H3
InChIKeyOABDWNDIXXOUQM-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65497971
3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one
CID 114759174
2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine
CID 65497970
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
2-tert-butylsulfanyl-1-methylimidazole
CID 10261609
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
CID 63702614
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64819737
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine (CID 65498174) is 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine is Cn1ccnc1SCC1(CCN)CC1.
What is the InChIKey of 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine?
The InChIKey is OABDWNDIXXOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-7-6-12-9(13)14-8-10(2-3-10)4-5-11/h6-7H,2-5,8,11H2,1H3.
What are the key properties of 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine?
2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65498174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).