N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide

C9H20N2O2S — CID 64554271

IUPACN-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C1CC1
InChIInChI=1S/C9H20N2O2S/c1-3-11(7-8(2)6-10)14(12,13)9-4-5-9/h8-9H,3-7,10H2,1-2H3
InChIKeyCRBJQQACMMNQFH-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.40
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide

N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide (PubChem CID 64554271) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
PubChem CID64554271
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C1CC1
InChIInChI=1S/C9H20N2O2S/c1-3-11(7-8(2)6-10)14(12,13)9-4-5-9/h8-9H,3-7,10H2,1-2H3
InChIKeyCRBJQQACMMNQFH-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide (CID 64554271) is N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide is CCN(CC(C)CN)S(=O)(=O)C1CC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide?
The InChIKey is CRBJQQACMMNQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-11(7-8(2)6-10)14(12,13)9-4-5-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide?
N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide is sourced from PubChem (CID 64554271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).