2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine

C15H27N3S — CID 64622142

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1Sc1nccn1C
InChIInChI=1S/C15H27N3S/c1-3-10-16-13-8-6-4-5-7-9-14(13)19-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3
InChIKeyOUWWIBPENWCGGZ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.60
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine

2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine (PubChem CID 64622142) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
PubChem CID64622142
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1Sc1nccn1C
InChIInChI=1S/C15H27N3S/c1-3-10-16-13-8-6-4-5-7-9-14(13)19-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3
InChIKeyOUWWIBPENWCGGZ-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2846342
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CID 2997769
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CID 12870533
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CID 164673828
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CID 23658977
CID 23658977
CID 60664390
CID 60664390
CID 169128313
CID 169128313
CID 169774297
CID 169774297
CID 134694412
CID 134694412
CID 61647791
CID 61647791
CID 104464434
CID 104464434
CID 114123411
CID 114123411

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine (CID 64622142) is 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1Sc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine?
The InChIKey is OUWWIBPENWCGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-10-16-13-8-6-4-5-7-9-14(13)19-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine?
2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine is sourced from PubChem (CID 64622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).