N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide

C9H21N3O3S — CID 43136912

IUPACN-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-2-11(5-3-4-10)16(13,14)12-6-8-15-9-7-12/h2-10H2,1H3
InChIKeyAKAINTVPNSKYMU-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.77
Rot. Bonds6

About N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide

N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide (PubChem CID 43136912) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide
PubChem CID43136912
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-2-11(5-3-4-10)16(13,14)12-6-8-15-9-7-12/h2-10H2,1H3
InChIKeyAKAINTVPNSKYMU-UHFFFAOYSA-N
XLogP-0.77
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide (CID 43136912) is N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide is CCN(CCCN)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide?
The InChIKey is AKAINTVPNSKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-2-11(5-3-4-10)16(13,14)12-6-8-15-9-7-12/h2-10H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide?
N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43136912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).