N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide

C16H24N2O3S — CID 120720142

IUPACN-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc3c(c2)CCCO3)CCNCC1
InChIInChI=1S/C16H24N2O3S/c1-16(6-8-17-9-7-16)12-18-22(19,20)14-4-5-15-13(11-14)3-2-10-21-15/h4-5,11,17-18H,2-3,6-10,12H2,1H3
InChIKeyBFBCCFOSNCKMAX-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.68
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide

N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 120720142) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID120720142
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc3c(c2)CCCO3)CCNCC1
InChIInChI=1S/C16H24N2O3S/c1-16(6-8-17-9-7-16)12-18-22(19,20)14-4-5-15-13(11-14)3-2-10-21-15/h4-5,11,17-18H,2-3,6-10,12H2,1H3
InChIKeyBFBCCFOSNCKMAX-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120778074
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide (CID 120720142) is N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide is CC1(CNS(=O)(=O)c2ccc3c(c2)CCCO3)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is BFBCCFOSNCKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(6-8-17-9-7-16)12-18-22(19,20)14-4-5-15-13(11-14)3-2-10-21-15/h4-5,11,17-18H,2-3,6-10,12H2,1H3.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 120720142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).