N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide

C14H31N3O2S — CID 65073766

IUPACN-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
SMILESCCN1CCCC(NCCCN(CC)S(C)(=O)=O)CC1
InChIInChI=1S/C14H31N3O2S/c1-4-16-11-6-8-14(9-13-16)15-10-7-12-17(5-2)20(3,18)19/h14-15H,4-13H2,1-3H3
InChIKeyQSWPEGAVNYBIHS-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.12
Rot. Bonds8

About N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide (PubChem CID 65073766) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
PubChem CID65073766
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
SMILESCCN1CCCC(NCCCN(CC)S(C)(=O)=O)CC1
InChIInChI=1S/C14H31N3O2S/c1-4-16-11-6-8-14(9-13-16)15-10-7-12-17(5-2)20(3,18)19/h14-15H,4-13H2,1-3H3
InChIKeyQSWPEGAVNYBIHS-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.12
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-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide (CID 65073766) is N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide is CCN1CCCC(NCCCN(CC)S(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is QSWPEGAVNYBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-4-16-11-6-8-14(9-13-16)15-10-7-12-17(5-2)20(3,18)19/h14-15H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 65073766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).