7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane

C15H30N4O2S — CID 175831516

IUPAC7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane
SMILESCN(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C15H30N4O2S/c1-18(2)22(20,21)17-14-3-6-15(7-4-14)11-19(12-15)10-13-5-8-16-9-13/h13-14,16-17H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyANAGOHNQYUXJOR-ZDUSSCGKSA-N
MW330.50 g/mol
LogP0.24
Rot. Bonds5

About 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane

7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane (PubChem CID 175831516) has the molecular formula C15H30N4O2S and a molecular weight of 330.50 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane
PubChem CID175831516
Molecular FormulaC15H30N4O2S
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC Name7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane
SMILESCN(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C15H30N4O2S/c1-18(2)22(20,21)17-14-3-6-15(7-4-14)11-19(12-15)10-13-5-8-16-9-13/h13-14,16-17H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyANAGOHNQYUXJOR-ZDUSSCGKSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
CID 175831449
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
CID 166150548
N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 166150782
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
CID 166150810
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119977011
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane (CID 175831516) is 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane is CN(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.
What is the InChIKey of 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane?
The InChIKey is ANAGOHNQYUXJOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N4O2S/c1-18(2)22(20,21)17-14-3-6-15(7-4-14)11-19(12-15)10-13-5-8-16-9-13/h13-14,16-17H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane?
7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane has a molecular weight of 330.50 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 175831516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).