N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide

C15H30N4O4S — CID 55627629

IUPACN-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-3-4-5-16(2)24(21,22)19-8-6-18(7-9-19)15(20)14-17-10-12-23-13-11-17/h3-14H2,1-2H3
InChIKeyRRYPKDOJPITHSB-UHFFFAOYSA-N
MW362.50 g/mol
LogP-0.56
Rot. Bonds7

About N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide

N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide (PubChem CID 55627629) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
PubChem CID55627629
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC NameN-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-3-4-5-16(2)24(21,22)19-8-6-18(7-9-19)15(20)14-17-10-12-23-13-11-17/h3-14H2,1-2H3
InChIKeyRRYPKDOJPITHSB-UHFFFAOYSA-N
XLogP-0.56
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
CID 43521616
N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
CID 55988894
N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 55607982
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
CID 54940579
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627385
(6S)-1-methylsulfonyl-4-(2-morpholin-4-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125022912
N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
CID 63396894
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The IUPAC name of N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide (CID 55627629) is N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The InChIKey is RRYPKDOJPITHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-3-4-5-16(2)24(21,22)19-8-6-18(7-9-19)15(20)14-17-10-12-23-13-11-17/h3-14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of -0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55627629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).