1-methyl-N-(thiolan-3-yl)imidazol-2-amine

C8H13N3S — CID 103063471

IUPAC1-methyl-N-(thiolan-3-yl)imidazol-2-amine
SMILESCn1ccnc1NC1CCSC1
InChIInChI=1S/C8H13N3S/c1-11-4-3-9-8(11)10-7-2-5-12-6-7/h3-4,7H,2,5-6H2,1H3,(H,9,10)
InChIKeyJKYOVYPXWDAMBU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-N-(thiolan-3-yl)imidazol-2-amine

1-methyl-N-(thiolan-3-yl)imidazol-2-amine (PubChem CID 103063471) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-methyl-N-(thiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(thiolan-3-yl)imidazol-2-amine
PubChem CID103063471
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-methyl-N-(thiolan-3-yl)imidazol-2-amine
SMILESCn1ccnc1NC1CCSC1
InChIInChI=1S/C8H13N3S/c1-11-4-3-9-8(11)10-7-2-5-12-6-7/h3-4,7H,2,5-6H2,1H3,(H,9,10)
InChIKeyJKYOVYPXWDAMBU-UHFFFAOYSA-N
XLogP1.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57183550
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1-propyl-N-(thian-4-yl)imidazol-2-amine
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1-cyclopropyl-3-(thiolan-3-ylamino)pyrazin-2-one
CID 103931022
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
1-ethyl-N-(1-methylimidazol-2-yl)piperidin-3-amine
CID 62133127
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
1-methyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 62132741
1-N-(1-methylimidazol-2-yl)cyclopentane-1,2-diamine
CID 63252580
3-methyl-N-(thiolan-3-yl)triazol-4-amine
CID 130486465
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,4-dithiepan-6-amine
CID 95222175
N-[4-(2-methylimidazol-1-yl)butyl]thiolan-3-amine
CID 115723460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiolan-3-yl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(thiolan-3-yl)imidazol-2-amine (CID 103063471) is 1-methyl-N-(thiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(thiolan-3-yl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(thiolan-3-yl)imidazol-2-amine is Cn1ccnc1NC1CCSC1.
What is the InChIKey of 1-methyl-N-(thiolan-3-yl)imidazol-2-amine?
The InChIKey is JKYOVYPXWDAMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-4-3-9-8(11)10-7-2-5-12-6-7/h3-4,7H,2,5-6H2,1H3,(H,9,10).
What are the key properties of 1-methyl-N-(thiolan-3-yl)imidazol-2-amine?
1-methyl-N-(thiolan-3-yl)imidazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 103063471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).