[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine

C15H22N2O3S — CID 120778074

IUPAC[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C15H22N2O3S/c1-15(10-16)6-7-17(11-15)21(18,19)13-4-5-14-12(9-13)3-2-8-20-14/h4-5,9H,2-3,6-8,10-11,16H2,1H3
InChIKeyHRKMGNALTDBOAI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.37
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine

[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120778074) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120778074
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C15H22N2O3S/c1-15(10-16)6-7-17(11-15)21(18,19)13-4-5-14-12(9-13)3-2-8-20-14/h4-5,9H,2-3,6-8,10-11,16H2,1H3
InChIKeyHRKMGNALTDBOAI-UHFFFAOYSA-N
XLogP1.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 120777392
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777756
[1-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777837
[1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777209
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871439
[1-(4-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778219

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (CID 120778074) is [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HRKMGNALTDBOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(10-16)6-7-17(11-15)21(18,19)13-4-5-14-12(9-13)3-2-8-20-14/h4-5,9H,2-3,6-8,10-11,16H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120778074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).