3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide

C13H27N3O3S — CID 106003094

IUPAC3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H27N3O3S/c1-12(11-16-6-8-19-9-7-16)15-20(17,18)10-2-5-14-13-3-4-13/h12-15H,2-11H2,1H3
InChIKeyFVKFLVWTHWBSBE-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.23
Rot. Bonds9

About 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (PubChem CID 106003094) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
PubChem CID106003094
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H27N3O3S/c1-12(11-16-6-8-19-9-7-16)15-20(17,18)10-2-5-14-13-3-4-13/h12-15H,2-11H2,1H3
InChIKeyFVKFLVWTHWBSBE-UHFFFAOYSA-N
XLogP-0.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 79586284
3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106009226
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
CID 106003066
4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
CID 106004399
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
CID 106068345

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (CID 106003094) is 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is CC(CN1CCOCC1)NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is FVKFLVWTHWBSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-12(11-16-6-8-19-9-7-16)15-20(17,18)10-2-5-14-13-3-4-13/h12-15H,2-11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of -0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106003094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).