3-amino-N-propylmorpholine-4-sulfonamide

C7H17N3O3S — CID 114809053

IUPAC3-amino-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1N
InChIInChI=1S/C7H17N3O3S/c1-2-3-9-14(11,12)10-4-5-13-6-7(10)8/h7,9H,2-6,8H2,1H3
InChIKeyQHDBCKMTCNYWRY-UHFFFAOYSA-N
MW223.30 g/mol
LogP-1.15
Rot. Bonds4

About 3-amino-N-propylmorpholine-4-sulfonamide

3-amino-N-propylmorpholine-4-sulfonamide (PubChem CID 114809053) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-amino-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-propylmorpholine-4-sulfonamide
PubChem CID114809053
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name3-amino-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1N
InChIInChI=1S/C7H17N3O3S/c1-2-3-9-14(11,12)10-4-5-13-6-7(10)8/h7,9H,2-6,8H2,1H3
InChIKeyQHDBCKMTCNYWRY-UHFFFAOYSA-N
XLogP-1.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propylmorpholine-4-sulfonamide?
The IUPAC name of 3-amino-N-propylmorpholine-4-sulfonamide (CID 114809053) is 3-amino-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for 3-amino-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for 3-amino-N-propylmorpholine-4-sulfonamide is CCCNS(=O)(=O)N1CCOCC1N.
What is the InChIKey of 3-amino-N-propylmorpholine-4-sulfonamide?
The InChIKey is QHDBCKMTCNYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-2-3-9-14(11,12)10-4-5-13-6-7(10)8/h7,9H,2-6,8H2,1H3.
What are the key properties of 3-amino-N-propylmorpholine-4-sulfonamide?
3-amino-N-propylmorpholine-4-sulfonamide has a molecular weight of 223.30 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 114809053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).