ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

C17H40N2O3S — CID 156820040

IUPACethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCC.CNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C15H30N2O3S.C2H6.2H2/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3;1-2;;/h13,16H,4-12H2,1-3H3,(H,17,18);1-2H3;2*1H
InChIKeyOKRLOALDCGEWNW-UHFFFAOYSA-N
MW352.59 g/mol
LogP2.86
Rot. Bonds11

About ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 156820040) has the molecular formula C17H40N2O3S and a molecular weight of 352.59 g/mol. Its IUPAC name is ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
PubChem CID156820040
Molecular FormulaC17H40N2O3S
Molecular Weight352.59 g/mol
Exact Mass352.28
IUPAC Nameethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCC.CNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C15H30N2O3S.C2H6.2H2/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3;1-2;;/h13,16H,4-12H2,1-3H3,(H,17,18);1-2H3;2*1H
InChIKeyOKRLOALDCGEWNW-UHFFFAOYSA-N
XLogP2.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (CID 156820040) is ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is CC.CNCCCS(=O)(=O)CCCCNC(=O)C1(C(C)C)CC1.[H][H].[H][H].
What is the InChIKey of ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is OKRLOALDCGEWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S.C2H6.2H2/c1-13(2)15(7-8-15)14(18)17-10-4-5-11-21(19,20)12-6-9-16-3;1-2;;/h13,16H,4-12H2,1-3H3,(H,17,18);1-2H3;2*1H.
What are the key properties of ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 352.59 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 156820040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).