3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide

C17H29NO3S — CID 124729848

IUPAC3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C17H29NO3S/c1-11(2)10-22(20,21)7-6-17(19)18-16-9-12-8-15(16)14-5-3-4-13(12)14/h11-16H,3-10H2,1-2H3,(H,18,19)/t12-,13+,14-,15+,16-/m1/s1
InChIKeyGUDDRMROGUBYKW-DGADGQDISA-N
MW327.49 g/mol
LogP2.39
Rot. Bonds6

About 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide

3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide (PubChem CID 124729848) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
PubChem CID124729848
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Name3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C17H29NO3S/c1-11(2)10-22(20,21)7-6-17(19)18-16-9-12-8-15(16)14-5-3-4-13(12)14/h11-16H,3-10H2,1-2H3,(H,18,19)/t12-,13+,14-,15+,16-/m1/s1
InChIKeyGUDDRMROGUBYKW-DGADGQDISA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropylsulfonyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729850
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
7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
CID 119729134
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 99851077
2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
CID 61455278
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
CID 78902587
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The IUPAC name of 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide (CID 124729848) is 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The canonical SMILES for 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide is CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The InChIKey is GUDDRMROGUBYKW-DGADGQDISA-N. The full InChI is InChI=1S/C17H29NO3S/c1-11(2)10-22(20,21)7-6-17(19)18-16-9-12-8-15(16)14-5-3-4-13(12)14/h11-16H,3-10H2,1-2H3,(H,18,19)/t12-,13+,14-,15+,16-/m1/s1.
What are the key properties of 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide has a molecular weight of 327.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide is sourced from PubChem (CID 124729848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).