N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide

C10H22N4O3S — CID 79072139

IUPACN-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
SMILESCN1CCOC(CNS(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H22N4O3S/c1-13-6-7-17-10(9-13)8-12-18(15,16)14-4-2-11-3-5-14/h10-12H,2-9H2,1H3
InChIKeyPLUZVTDDGTWMBH-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.94
Rot. Bonds4

About N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide

N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide (PubChem CID 79072139) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
PubChem CID79072139
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
SMILESCN1CCOC(CNS(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C10H22N4O3S/c1-13-6-7-17-10(9-13)8-12-18(15,16)14-4-2-11-3-5-14/h10-12H,2-9H2,1H3
InChIKeyPLUZVTDDGTWMBH-UHFFFAOYSA-N
XLogP-1.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
2-[(4-methylmorpholin-2-yl)methylsulfamoyl]propanethioamide
CID 79072297
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627762
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide (CID 79072139) is N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide is CN1CCOC(CNS(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is PLUZVTDDGTWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-13-6-7-17-10(9-13)8-12-18(15,16)14-4-2-11-3-5-14/h10-12H,2-9H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide?
N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of -1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 79072139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).