4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine

C11H26N4O2S — CID 28940564

IUPAC4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C11H26N4O2S/c1-4-15(5-2)18(16,17)13-11(10-12)6-8-14(3)9-7-11/h13H,4-10,12H2,1-3H3
InChIKeyNJABFFBSLZOZRZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.41
Rot. Bonds6

About 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine

4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine (PubChem CID 28940564) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine.

Molecular Properties

Compound Name4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine
PubChem CID28940564
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C11H26N4O2S/c1-4-15(5-2)18(16,17)13-11(10-12)6-8-14(3)9-7-11/h13H,4-10,12H2,1-3H3
InChIKeyNJABFFBSLZOZRZ-UHFFFAOYSA-N
XLogP-0.41
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine?
The IUPAC name of 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine (CID 28940564) is 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine.
What is the SMILES notation for 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine?
The canonical SMILES for 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine is CCN(CC)S(=O)(=O)NC1(CN)CCN(C)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine?
The InChIKey is NJABFFBSLZOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-4-15(5-2)18(16,17)13-11(10-12)6-8-14(3)9-7-11/h13H,4-10,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine?
4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine has a molecular weight of 278.42 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine is sourced from PubChem (CID 28940564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).