N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C15H29N3OS — CID 71868197

IUPACN-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCSCC(C)NC(=O)N1CCC2CCC(C1)N2C(C)C
InChIInChI=1S/C15H29N3OS/c1-11(2)18-13-5-6-14(18)9-17(8-7-13)15(19)16-12(3)10-20-4/h11-14H,5-10H2,1-4H3,(H,16,19)
InChIKeyWGIIMCATBIIRDX-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.39
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71868197) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71868197
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCSCC(C)NC(=O)N1CCC2CCC(C1)N2C(C)C
InChIInChI=1S/C15H29N3OS/c1-11(2)18-13-5-6-14(18)9-17(8-7-13)15(19)16-12(3)10-20-4/h11-14H,5-10H2,1-4H3,(H,16,19)
InChIKeyWGIIMCATBIIRDX-UHFFFAOYSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Related Compounds

3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
(2S)-2-amino-4-methylsulfanyl-1-[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]butan-1-one
CID 124687908
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
2-[1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 113472935
(1S,6R)-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859845
(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 120873000
4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
CID 71977269
N-[[2-(hydroxymethyl)phenyl]methyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868412
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129422413
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71868197) is N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CSCC(C)NC(=O)N1CCC2CCC(C1)N2C(C)C.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is WGIIMCATBIIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-11(2)18-13-5-6-14(18)9-17(8-7-13)15(19)16-12(3)10-20-4/h11-14H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 299.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71868197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).