N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide

C20H40N4O4S — CID 55988894

IUPACN,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H40N4O4S/c1-18(2)5-7-23(8-6-19(3)4)29(26,27)24-11-9-22(10-12-24)20(25)17-21-13-15-28-16-14-21/h18-19H,5-17H2,1-4H3
InChIKeyOKMCEVITQZTUDJ-UHFFFAOYSA-N
MW432.63 g/mol
LogP1.10
Rot. Bonds10

About N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide

N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide (PubChem CID 55988894) has the molecular formula C20H40N4O4S and a molecular weight of 432.63 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
PubChem CID55988894
Molecular FormulaC20H40N4O4S
Molecular Weight432.63 g/mol
Exact Mass432.28
IUPAC NameN,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H40N4O4S/c1-18(2)5-7-23(8-6-19(3)4)29(26,27)24-11-9-22(10-12-24)20(25)17-21-13-15-28-16-14-21/h18-19H,5-17H2,1-4H3
InChIKeyOKMCEVITQZTUDJ-UHFFFAOYSA-N
XLogP1.10
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
CID 55627629
2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516
N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78898090
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
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
(6S)-1-methylsulfonyl-4-(2-morpholin-4-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125022912
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide (CID 55988894) is N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide is CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
The InChIKey is OKMCEVITQZTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O4S/c1-18(2)5-7-23(8-6-19(3)4)29(26,27)24-11-9-22(10-12-24)20(25)17-21-13-15-28-16-14-21/h18-19H,5-17H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide?
N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide has a molecular weight of 432.63 g/mol, XLogP of 1.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).