6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene

C18H22N2O3S — CID 164630860

IUPAC6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H22N2O3S/c1-20(2)24(21,22)19-18(14-7-4-3-5-8-14)16-10-11-17-15(13-16)9-6-12-23-17/h3-5,7-8,10-11,13,18-19H,6,9,12H2,1-2H3/t18-/m0/s1
InChIKeyCOFXFVQVVQBRDS-SFHVURJKSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds5

About 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene

6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene (PubChem CID 164630860) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
PubChem CID164630860
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
SMILESCN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H22N2O3S/c1-20(2)24(21,22)19-18(14-7-4-3-5-8-14)16-10-11-17-15(13-16)9-6-12-23-17/h3-5,7-8,10-11,13,18-19H,6,9,12H2,1-2H3/t18-/m0/s1
InChIKeyCOFXFVQVVQBRDS-SFHVURJKSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128571002
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
CID 73038177
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816
1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119125341
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene (CID 164630860) is 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene is CN(C)S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene?
The InChIKey is COFXFVQVVQBRDS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(2)24(21,22)19-18(14-7-4-3-5-8-14)16-10-11-17-15(13-16)9-6-12-23-17/h3-5,7-8,10-11,13,18-19H,6,9,12H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene?
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene has a molecular weight of 346.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 164630860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).