N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide

C11H22N2O3S — CID 71941517

IUPACN-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
SMILESCC(C)N(CCCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(17(3,15)16)8-4-7-12-11(14)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyPGQVXVGEHAYVIU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds7

About N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide (PubChem CID 71941517) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
PubChem CID71941517
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
SMILESCC(C)N(CCCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(17(3,15)16)8-4-7-12-11(14)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyPGQVXVGEHAYVIU-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
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-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide (CID 71941517) is N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide is CC(C)N(CCCNC(=O)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide?
The InChIKey is PGQVXVGEHAYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)13(17(3,15)16)8-4-7-12-11(14)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide?
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 71941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).