2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

C16H27NOS — CID 78858492

IUPAC2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESCC(C)(C)SCC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H27NOS/c1-16(2,3)19-9-15(18)17-14-8-10-7-13(14)12-6-4-5-11(10)12/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyMWCHOQXSVMWEIA-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.46
Rot. Bonds3

About 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (PubChem CID 78858492) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
PubChem CID78858492
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESCC(C)(C)SCC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H27NOS/c1-16(2,3)19-9-15(18)17-14-8-10-7-13(14)12-6-4-5-11(10)12/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyMWCHOQXSVMWEIA-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411
2-amino-2-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 79809442
2-cyclopent-2-en-1-yl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 43066745
3-(ethylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 62839360
6-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)hexanamide
CID 43710195
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
CID 119729134
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62839359
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729850
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729848

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (CID 78858492) is 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is CC(C)(C)SCC(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The InChIKey is MWCHOQXSVMWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-16(2,3)19-9-15(18)17-14-8-10-7-13(14)12-6-4-5-11(10)12/h10-14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide has a molecular weight of 281.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is sourced from PubChem (CID 78858492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).