N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide

C14H23N3O3S — CID 43275774

IUPACN-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-2-7-17(14-5-3-13(12-15)4-6-14)21(18,19)16-8-10-20-11-9-16/h3-6H,2,7-12,15H2,1H3
InChIKeyVXCKUTJDDVMKDQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.94
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide

N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide (PubChem CID 43275774) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
PubChem CID43275774
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-2-7-17(14-5-3-13(12-15)4-6-14)21(18,19)16-8-10-20-11-9-16/h3-6H,2,7-12,15H2,1H3
InChIKeyVXCKUTJDDVMKDQ-UHFFFAOYSA-N
XLogP0.94
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
CID 63229912
N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
CID 43276077
N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63687286
N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
CID 63233770
N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
CID 164863788
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
4-morpholin-4-ylsulfonyl-N,N-dipropylpiperazine-1-sulfonamide
CID 55627166
N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
CID 43275778
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
CID 62050109
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide (CID 43275774) is N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide is CCCN(c1ccc(CN)cc1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide?
The InChIKey is VXCKUTJDDVMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-7-17(14-5-3-13(12-15)4-6-14)21(18,19)16-8-10-20-11-9-16/h3-6H,2,7-12,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 43275774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).