N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

C13H30N2O3S — CID 156820698

IUPACN-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCCNCCS(=O)(=O)CCNC(=O)C1(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C13H26N2O3S.2H2/c1-4-14-7-9-19(17,18)10-8-15-12(16)13(5-6-13)11(2)3;;/h11,14H,4-10H2,1-3H3,(H,15,16);2*1H
InChIKeyIDVKFWCNPKDGAE-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.06
Rot. Bonds9

About N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 156820698) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
PubChem CID156820698
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCCNCCS(=O)(=O)CCNC(=O)C1(C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C13H26N2O3S.2H2/c1-4-14-7-9-19(17,18)10-8-15-12(16)13(5-6-13)11(2)3;;/h11,14H,4-10H2,1-3H3,(H,15,16);2*1H
InChIKeyIDVKFWCNPKDGAE-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (CID 156820698) is N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is CCNCCS(=O)(=O)CCNC(=O)C1(C(C)C)CC1.[H][H].[H][H].
What is the InChIKey of N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is IDVKFWCNPKDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.2H2/c1-4-14-7-9-19(17,18)10-8-15-12(16)13(5-6-13)11(2)3;;/h11,14H,4-10H2,1-3H3,(H,15,16);2*1H.
What are the key properties of N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 294.46 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 156820698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).