1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene

C14H25N3O3S — CID 114803421

IUPAC1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
SMILESCOc1cccc(N(CCCN)S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H25N3O3S/c1-14(2,3)16-21(18,19)17(10-6-9-15)12-7-5-8-13(11-12)20-4/h5,7-8,11,16H,6,9-10,15H2,1-4H3
InChIKeyYVAGZFISKSRWIZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.48
Rot. Bonds7

About 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene

1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene (PubChem CID 114803421) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene.

Molecular Properties

Compound Name1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
PubChem CID114803421
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
SMILESCOc1cccc(N(CCCN)S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H25N3O3S/c1-14(2,3)16-21(18,19)17(10-6-9-15)12-7-5-8-13(11-12)20-4/h5,7-8,11,16H,6,9-10,15H2,1-4H3
InChIKeyYVAGZFISKSRWIZ-UHFFFAOYSA-N
XLogP1.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
CID 105360435
N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 28769805
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(3-methoxy-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]butanamide
CID 125057822
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene?
The IUPAC name of 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene (CID 114803421) is 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene.
What is the SMILES notation for 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene?
The canonical SMILES for 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene is COc1cccc(N(CCCN)S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene?
The InChIKey is YVAGZFISKSRWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-14(2,3)16-21(18,19)17(10-6-9-15)12-7-5-8-13(11-12)20-4/h5,7-8,11,16H,6,9-10,15H2,1-4H3.
What are the key properties of 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene?
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene has a molecular weight of 315.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene is sourced from PubChem (CID 114803421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).