2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide

C18H30N2O4S — CID 155501296

IUPAC2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NC[C@H]2[C@H]3CN(S(C)(=O)=O)C[C@]34CC[C@H]2O4)C1(C)C
InChIInChI=1S/C18H30N2O4S/c1-16(2)14(17(16,3)4)15(21)19-8-11-12-9-20(25(5,22)23)10-18(12)7-6-13(11)24-18/h11-14H,6-10H2,1-5H3,(H,19,21)/t11-,12+,13+,18+/m0/s1
InChIKeyXWXBQMOAZRKRTH-NVAPZFDKSA-N
MW370.52 g/mol
LogP1.22
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 155501296) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide
PubChem CID155501296
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NC[C@H]2[C@H]3CN(S(C)(=O)=O)C[C@]34CC[C@H]2O4)C1(C)C
InChIInChI=1S/C18H30N2O4S/c1-16(2)14(17(16,3)4)15(21)19-8-11-12-9-20(25(5,22)23)10-18(12)7-6-13(11)24-18/h11-14H,6-10H2,1-5H3,(H,19,21)/t11-,12+,13+,18+/m0/s1
InChIKeyXWXBQMOAZRKRTH-NVAPZFDKSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide (CID 155501296) is 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide is CC1(C)C(C(=O)NC[C@H]2[C@H]3CN(S(C)(=O)=O)C[C@]34CC[C@H]2O4)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is XWXBQMOAZRKRTH-NVAPZFDKSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-16(2)14(17(16,3)4)15(21)19-8-11-12-9-20(25(5,22)23)10-18(12)7-6-13(11)24-18/h11-14H,6-10H2,1-5H3,(H,19,21)/t11-,12+,13+,18+/m0/s1.
What are the key properties of 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155501296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).