N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide

C13H26N4O4S — CID 47924801

IUPACN,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C13H26N4O4S/c1-5-15(6-2)13(19)17-9-7-16(8-10-17)12(18)11(3)14-22(4,20)21/h11,14H,5-10H2,1-4H3
InChIKeyITJJCNTYHZAJNF-UHFFFAOYSA-N
MW334.44 g/mol
LogP-0.47
Rot. Bonds5

About N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide (PubChem CID 47924801) has the molecular formula C13H26N4O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide
PubChem CID47924801
Molecular FormulaC13H26N4O4S
Molecular Weight334.44 g/mol
Exact Mass334.17
IUPAC NameN,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C13H26N4O4S/c1-5-15(6-2)13(19)17-9-7-16(8-10-17)12(18)11(3)14-22(4,20)21/h11,14H,5-10H2,1-4H3
InChIKeyITJJCNTYHZAJNF-UHFFFAOYSA-N
XLogP-0.47
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromobutanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 62855786
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide
CID 61356858
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526
4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 106112145
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide (CID 47924801) is N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide?
The InChIKey is ITJJCNTYHZAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4S/c1-5-15(6-2)13(19)17-9-7-16(8-10-17)12(18)11(3)14-22(4,20)21/h11,14H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 47924801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).