3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide

C10H20N2O4S — CID 62021741

IUPAC3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)C1CC1
InChIInChI=1S/C10H20N2O4S/c11-10(14)3-7-17(15,16)8-5-12(4-6-13)9-1-2-9/h9,13H,1-8H2,(H2,11,14)
InChIKeyQUDLUKHEQNOIAQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds9

About 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide

3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (PubChem CID 62021741) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
PubChem CID62021741
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)C1CC1
InChIInChI=1S/C10H20N2O4S/c11-10(14)3-7-17(15,16)8-5-12(4-6-13)9-1-2-9/h9,13H,1-8H2,(H2,11,14)
InChIKeyQUDLUKHEQNOIAQ-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (CID 62021741) is 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN(CCO)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is QUDLUKHEQNOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-10(14)3-7-17(15,16)8-5-12(4-6-13)9-1-2-9/h9,13H,1-8H2,(H2,11,14).
What are the key properties of 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 264.35 g/mol, XLogP of -1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 62021741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).