2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine

C10H23N3O3S — CID 103152498

IUPAC2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-10(9-11)3-4-12-5-7-13(8-6-12)17(2,14)15/h10H,3-9,11H2,1-2H3
InChIKeyKTCSKVIPAXANPZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.07
Rot. Bonds6

About 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine

2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine (PubChem CID 103152498) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
PubChem CID103152498
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-16-10(9-11)3-4-12-5-7-13(8-6-12)17(2,14)15/h10H,3-9,11H2,1-2H3
InChIKeyKTCSKVIPAXANPZ-UHFFFAOYSA-N
XLogP-1.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
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N-methyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
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N-(2-ethoxy-3-morpholin-4-ylpropyl)methanesulfonamide
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N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide
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2-(4-(Methylsulfonyl)morpholin-2-yl)ethan-1-amine
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1-[(2R)-oxiranylmethyl]-4-methanesulfonylpiperazine
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CID 90183469

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine (CID 103152498) is 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine is COC(CN)CCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The InChIKey is KTCSKVIPAXANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-16-10(9-11)3-4-12-5-7-13(8-6-12)17(2,14)15/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine has a molecular weight of 265.38 g/mol, XLogP of -1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 103152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).