1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane

C14H31N3O2S — CID 106090902

IUPAC1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
SMILESCCNCCCN(C)S(=O)(=O)NCC1CCCC(C)C1
InChIInChI=1S/C14H31N3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-12-14-8-5-7-13(2)11-14/h13-16H,4-12H2,1-3H3
InChIKeyMVVZLLNAFLGHKT-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.58
Rot. Bonds9

About 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane

1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane (PubChem CID 106090902) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
PubChem CID106090902
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
SMILESCCNCCCN(C)S(=O)(=O)NCC1CCCC(C)C1
InChIInChI=1S/C14H31N3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-12-14-8-5-7-13(2)11-14/h13-16H,4-12H2,1-3H3
InChIKeyMVVZLLNAFLGHKT-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
CID 106016855
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
CID 62429155
N-[2-(ethylamino)ethyl]-2-(3-methylcyclohexyl)acetamide
CID 119507538
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane?
The IUPAC name of 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane (CID 106090902) is 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane.
What is the SMILES notation for 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane?
The canonical SMILES for 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane is CCNCCCN(C)S(=O)(=O)NCC1CCCC(C)C1.
What is the InChIKey of 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane?
The InChIKey is MVVZLLNAFLGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-12-14-8-5-7-13(2)11-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane?
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane has a molecular weight of 305.49 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane is sourced from PubChem (CID 106090902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).