[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C19H31N3O2S — CID 120990209

IUPAC[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESNC1C2CCCC1CC(C(=O)N1CCCC1C(=O)N1CCSCC1)C2
InChIInChI=1S/C19H31N3O2S/c20-17-13-3-1-4-14(17)12-15(11-13)18(23)22-6-2-5-16(22)19(24)21-7-9-25-10-8-21/h13-17H,1-12,20H2
InChIKeyVUJSETOQFVHQPR-UHFFFAOYSA-N
MW365.54 g/mol
LogP1.71
Rot. Bonds2

About [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 120990209) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID120990209
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESNC1C2CCCC1CC(C(=O)N1CCCC1C(=O)N1CCSCC1)C2
InChIInChI=1S/C19H31N3O2S/c20-17-13-3-1-4-14(17)12-15(11-13)18(23)22-6-2-5-16(22)19(24)21-7-9-25-10-8-21/h13-17H,1-12,20H2
InChIKeyVUJSETOQFVHQPR-UHFFFAOYSA-N
XLogP1.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120987548
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
3,3,3-trifluoro-1-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 97005212
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
CID 120993476
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-(9-amino-3-bicyclo[3.3.1]nonanyl)methanone;hydrochloride
CID 120992046
2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
CID 95622453

Frequently Asked Questions

What is the IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 120990209) is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is NC1C2CCCC1CC(C(=O)N1CCCC1C(=O)N1CCSCC1)C2.
What is the InChIKey of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VUJSETOQFVHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c20-17-13-3-1-4-14(17)12-15(11-13)18(23)22-6-2-5-16(22)19(24)21-7-9-25-10-8-21/h13-17H,1-12,20H2.
What are the key properties of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 365.54 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 120990209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).