3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H27N3O3S — CID 119728915

IUPAC3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)17(2)8-4-7-16-14(18)12-10-5-6-11(9-10)13(12)15/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyKQIISHPYABICLH-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.15
Rot. Bonds7

About 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119728915) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119728915
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)17(2)8-4-7-16-14(18)12-10-5-6-11(9-10)13(12)15/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyKQIISHPYABICLH-UHFFFAOYSA-N
XLogP0.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103809087
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106116632
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
3-amino-N-(3-benzylsulfonylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727947
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119728915) is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide is CCS(=O)(=O)N(C)CCCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KQIISHPYABICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-21(19,20)17(2)8-4-7-16-14(18)12-10-5-6-11(9-10)13(12)15/h10-13H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119728915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).