9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide

C16H30N2O3S — CID 120989796

IUPAC9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)CCNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C16H30N2O3S/c1-16(2,3)22(20,21)8-7-18-15(19)13-9-11-5-4-6-12(10-13)14(11)17/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyANQZLPVHDQRZOQ-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.47
Rot. Bonds4

About 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989796) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989796
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)CCNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C16H30N2O3S/c1-16(2,3)22(20,21)8-7-18-15(19)13-9-11-5-4-6-12(10-13)14(11)17/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyANQZLPVHDQRZOQ-UHFFFAOYSA-N
XLogP1.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992972
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
9-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989604
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120989796) is 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide is CC(C)(C)S(=O)(=O)CCNC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ANQZLPVHDQRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-16(2,3)22(20,21)8-7-18-15(19)13-9-11-5-4-6-12(10-13)14(11)17/h11-14H,4-10,17H2,1-3H3,(H,18,19).
What are the key properties of 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).