2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide

C10H18Cl2N2O3S — CID 42959803

IUPAC2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide
SMILESCN(CCCNC(=O)C1(C)CC1(Cl)Cl)S(C)(=O)=O
InChIInChI=1S/C10H18Cl2N2O3S/c1-9(7-10(9,11)12)8(15)13-5-4-6-14(2)18(3,16)17/h4-7H2,1-3H3,(H,13,15)
InChIKeyAMNNNYMACMJTHN-UHFFFAOYSA-N
MW317.24 g/mol
LogP0.97
Rot. Bonds6

About 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide (PubChem CID 42959803) has the molecular formula C10H18Cl2N2O3S and a molecular weight of 317.24 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide
PubChem CID42959803
Molecular FormulaC10H18Cl2N2O3S
Molecular Weight317.24 g/mol
Exact Mass316.04
IUPAC Name2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide
SMILESCN(CCCNC(=O)C1(C)CC1(Cl)Cl)S(C)(=O)=O
InChIInChI=1S/C10H18Cl2N2O3S/c1-9(7-10(9,11)12)8(15)13-5-4-6-14(2)18(3,16)17/h4-7H2,1-3H3,(H,13,15)
InChIKeyAMNNNYMACMJTHN-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide (CID 42959803) is 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide is CN(CCCNC(=O)C1(C)CC1(Cl)Cl)S(C)(=O)=O.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is AMNNNYMACMJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2O3S/c1-9(7-10(9,11)12)8(15)13-5-4-6-14(2)18(3,16)17/h4-7H2,1-3H3,(H,13,15).
What are the key properties of 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 317.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 42959803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).