N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide

C10H23N5O3S — CID 104885840

IUPACN-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N5O3S/c1-9(8-18-2)12-10(13-11)14-4-6-15(7-5-14)19(3,16)17/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyVXWMPHXPENYTFN-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.58
Rot. Bonds4

About N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide

N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide (PubChem CID 104885840) has the molecular formula C10H23N5O3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
PubChem CID104885840
Molecular FormulaC10H23N5O3S
Molecular Weight293.39 g/mol
Exact Mass293.15
IUPAC NameN-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N5O3S/c1-9(8-18-2)12-10(13-11)14-4-6-15(7-5-14)19(3,16)17/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyVXWMPHXPENYTFN-UHFFFAOYSA-N
XLogP-1.58
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
CID 104886119
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide
CID 104886403
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62016338
1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505701

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide (CID 104885840) is N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide is COCC(C)/N=C(\NN)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide?
The InChIKey is VXWMPHXPENYTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O3S/c1-9(8-18-2)12-10(13-11)14-4-6-15(7-5-14)19(3,16)17/h9H,4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide?
N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide has a molecular weight of 293.39 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide is sourced from PubChem (CID 104885840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).