4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride

C13H30ClN3O4S — CID 120719916

IUPAC4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C13H29N3O4S.ClH/c1-13(4-6-14-7-5-13)12-15-21(17,18)16(8-10-19-2)9-11-20-3;/h14-15H,4-12H2,1-3H3;1H
InChIKeyACAZYWIPHGFDKL-UHFFFAOYSA-N
MW359.92 g/mol
LogP0.23
Rot. Bonds10

About 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride

4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride (PubChem CID 120719916) has the molecular formula C13H30ClN3O4S and a molecular weight of 359.92 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
PubChem CID120719916
Molecular FormulaC13H30ClN3O4S
Molecular Weight359.92 g/mol
Exact Mass359.16
IUPAC Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C13H29N3O4S.ClH/c1-13(4-6-14-7-5-13)12-15-21(17,18)16(8-10-19-2)9-11-20-3;/h14-15H,4-12H2,1-3H3;1H
InChIKeyACAZYWIPHGFDKL-UHFFFAOYSA-N
XLogP0.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride (CID 120719916) is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride is COCCN(CCOC)S(=O)(=O)NCC1(C)CCNCC1.Cl.
What is the InChIKey of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride?
The InChIKey is ACAZYWIPHGFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4S.ClH/c1-13(4-6-14-7-5-13)12-15-21(17,18)16(8-10-19-2)9-11-20-3;/h14-15H,4-12H2,1-3H3;1H.
What are the key properties of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride?
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride has a molecular weight of 359.92 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 120719916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).