1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride

C9H21ClN2O3S — CID 119981901

IUPAC1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
SMILESCOCC(C)S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-8-6-11(5-4-10-8)15(12,13)9(2)7-14-3;/h8-10H,4-7H2,1-3H3;1H
InChIKeyLNGRGQZXKVJOHI-UHFFFAOYSA-N
MW272.80 g/mol
LogP0.07
Rot. Bonds4

About 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride

1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride (PubChem CID 119981901) has the molecular formula C9H21ClN2O3S and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
PubChem CID119981901
Molecular FormulaC9H21ClN2O3S
Molecular Weight272.80 g/mol
Exact Mass272.10
IUPAC Name1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
SMILESCOCC(C)S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-8-6-11(5-4-10-8)15(12,13)9(2)7-14-3;/h8-10H,4-7H2,1-3H3;1H
InChIKeyLNGRGQZXKVJOHI-UHFFFAOYSA-N
XLogP0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride (CID 119981901) is 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride is COCC(C)S(=O)(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride?
The InChIKey is LNGRGQZXKVJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S.ClH/c1-8-6-11(5-4-10-8)15(12,13)9(2)7-14-3;/h8-10H,4-7H2,1-3H3;1H.
What are the key properties of 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride?
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119981901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).