N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

C13H28N4O3S — CID 110343157

IUPACN-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN(C)CCCNC(=O)CCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O3S/c1-15(2)7-4-6-14-13(18)5-12-21(19,20)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,14,18)
InChIKeyKKTQGQNOOYSKNY-UHFFFAOYSA-N
MW320.46 g/mol
LogP-0.98
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (PubChem CID 110343157) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
PubChem CID110343157
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN(C)CCCNC(=O)CCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O3S/c1-15(2)7-4-6-14-13(18)5-12-21(19,20)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,14,18)
InChIKeyKKTQGQNOOYSKNY-UHFFFAOYSA-N
XLogP-0.98
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
CID 110408260
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
CID 110688672
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (CID 110343157) is N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is CN(C)CCCNC(=O)CCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The InChIKey is KKTQGQNOOYSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-15(2)7-4-6-14-13(18)5-12-21(19,20)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide has a molecular weight of 320.46 g/mol, XLogP of -0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 110343157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).