[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine

C15H23N3O4S2 — CID 119988934

IUPAC[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H23N3O4S2/c16-12-13-5-4-10-18(13)24(21,22)15-7-3-6-14(11-15)23(19,20)17-8-1-2-9-17/h3,6-7,11,13H,1-2,4-5,8-10,12,16H2
InChIKeyCKEIMZNIJUROMC-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.58
Rot. Bonds5

About [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine

[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 119988934) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID119988934
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H23N3O4S2/c16-12-13-5-4-10-18(13)24(21,22)15-7-3-6-14(11-15)23(19,20)17-8-1-2-9-17/h3,6-7,11,13H,1-2,4-5,8-10,12,16H2
InChIKeyCKEIMZNIJUROMC-UHFFFAOYSA-N
XLogP0.58
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893

Frequently Asked Questions

What is the IUPAC name of [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 119988934) is [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is CKEIMZNIJUROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c16-12-13-5-4-10-18(13)24(21,22)15-7-3-6-14(11-15)23(19,20)17-8-1-2-9-17/h3,6-7,11,13H,1-2,4-5,8-10,12,16H2.
What are the key properties of [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 373.50 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).