N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide

C11H24N2O3S — CID 55174691

IUPACN-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9,12H2,1-2H3
InChIKeyNCUDFXIZQKILQH-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.55
Rot. Bonds7

About N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide

N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 55174691) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID55174691
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9,12H2,1-2H3
InChIKeyNCUDFXIZQKILQH-UHFFFAOYSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide (CID 55174691) is N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCN)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is NCUDFXIZQKILQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 55174691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).