N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide

C10H21N3O4S — CID 47128013

IUPACN-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9-3-4-11-10(14)12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyXDMPTEJMEBRQGV-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.69
Rot. Bonds5

About N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide

N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 47128013) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID47128013
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O4S/c1-17-9-3-4-11-10(14)12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14)
InChIKeyXDMPTEJMEBRQGV-UHFFFAOYSA-N
XLogP-0.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfonyl)-N-propyl-1-piperazinecarboxamide
CID 6469502
N-(3-methoxypropyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide
CID 2957881
N-butyl-4-(methylsulfonyl)-1-piperazinecarboxamide
CID 16189712
N-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboxamide
CID 53505153
4-acetyl-N-[3-[methyl(methylsulfonyl)amino]propyl]piperazine-1-carboxamide
CID 71892897
N-(2-ethoxyethyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 45831105
2-(methanesulfonamidomethyl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 53505694
4-acetyl-N-[3-(methanesulfonamido)propyl]piperazine-1-carboxamide
CID 71893002
N-ethyl-4-methylsulfonylpiperazine-1-carboxamide
CID 47121986
N-ethyl-N-methylsulfonylpiperazine-1-carboxamide
CID 173431684
N-butan-2-yl-4-methylsulfonylpiperazine-1-carboxamide
CID 45369348
N-(3-cyclohexyloxypropyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 45830854

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide (CID 47128013) is N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide is COCCCNC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is XDMPTEJMEBRQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-17-9-3-4-11-10(14)12-5-7-13(8-6-12)18(2,15)16/h3-9H2,1-2H3,(H,11,14).
What are the key properties of N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide?
N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 47128013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).