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

C14H32ClN3O5S — CID 120896370

IUPAC4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C14H31N3O5S.ClH/c1-20-10-8-17(9-11-21-2)23(18,19)16-12-14(13-22-3)4-6-15-7-5-14;/h15-16H,4-13H2,1-3H3;1H
InChIKeyRFYHRDJUFWEJJC-UHFFFAOYSA-N
MW389.95 g/mol
LogP-0.15
Rot. Bonds12

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

4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride (PubChem CID 120896370) has the molecular formula C14H32ClN3O5S and a molecular weight of 389.95 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
PubChem CID120896370
Molecular FormulaC14H32ClN3O5S
Molecular Weight389.95 g/mol
Exact Mass389.18
IUPAC Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C14H31N3O5S.ClH/c1-20-10-8-17(9-11-21-2)23(18,19)16-12-14(13-22-3)4-6-15-7-5-14;/h15-16H,4-13H2,1-3H3;1H
InChIKeyRFYHRDJUFWEJJC-UHFFFAOYSA-N
XLogP-0.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
CID 120719916
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896619
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120896458
2-(diethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891332
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120896002
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
CID 119966689

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride?
The IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride (CID 120896370) is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride is COCCN(CCOC)S(=O)(=O)NCC1(COC)CCNCC1.Cl.
What is the InChIKey of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride?
The InChIKey is RFYHRDJUFWEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O5S.ClH/c1-20-10-8-17(9-11-21-2)23(18,19)16-12-14(13-22-3)4-6-15-7-5-14;/h15-16H,4-13H2,1-3H3;1H.
What are the key properties of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride?
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of -0.15, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 120896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).