N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride

C15H24ClN3O3S — CID 24761673

IUPACN-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-13(19)16-12-14-4-6-15(7-5-14)22(20,21)18-9-3-8-17(2)10-11-18;/h4-7H,3,8-12H2,1-2H3,(H,16,19);1H
InChIKeySHPBGJIIMAWNGI-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.07
Rot. Bonds4

About N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 24761673) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID24761673
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-13(19)16-12-14-4-6-15(7-5-14)22(20,21)18-9-3-8-17(2)10-11-18;/h4-7H,3,8-12H2,1-2H3,(H,16,19);1H
InChIKeySHPBGJIIMAWNGI-UHFFFAOYSA-N
XLogP1.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride (CID 24761673) is N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1.Cl.
What is the InChIKey of N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is SHPBGJIIMAWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-13(19)16-12-14-4-6-15(7-5-14)22(20,21)18-9-3-8-17(2)10-11-18;/h4-7H,3,8-12H2,1-2H3,(H,16,19);1H.
What are the key properties of N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 24761673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).