N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C11H23N3O2S — CID 63002779

IUPACN-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC2CC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)5-4-12-10-11-2-3-11/h11-12H,2-10H2,1H3
InChIKeyINESVMNXFGZIAQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.44
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 63002779) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID63002779
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC2CC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)5-4-12-10-11-2-3-11/h11-12H,2-10H2,1H3
InChIKeyINESVMNXFGZIAQ-UHFFFAOYSA-N
XLogP-0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.44
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 63002779) is N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is CS(=O)(=O)N1CCN(CCNCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is INESVMNXFGZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)5-4-12-10-11-2-3-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).