N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide

C16H26N2O2S — CID 61014017

IUPACN-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-3-18(21(2,19)20)12-6-11-17-16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyMMHAZLLNLZHATR-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.81
Rot. Bonds7

About N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide (PubChem CID 61014017) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
PubChem CID61014017
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-3-18(21(2,19)20)12-6-11-17-16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyMMHAZLLNLZHATR-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide (CID 61014017) is N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide is CCN(CCCNC1CCc2ccccc2C1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide?
The InChIKey is MMHAZLLNLZHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-18(21(2,19)20)12-6-11-17-16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 61014017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).