3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide

C11H19N3O3S — CID 106378118

IUPAC3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCNC2CC2)o1
InChIInChI=1S/C11H19N3O3S/c1-9-7-13-11(17-9)8-14-18(15,16)6-2-5-12-10-3-4-10/h7,10,12,14H,2-6,8H2,1H3
InChIKeyNRPSFPHWXHCRCR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.54
Rot. Bonds8

About 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide

3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide (PubChem CID 106378118) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
PubChem CID106378118
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCNC2CC2)o1
InChIInChI=1S/C11H19N3O3S/c1-9-7-13-11(17-9)8-14-18(15,16)6-2-5-12-10-3-4-10/h7,10,12,14H,2-6,8H2,1H3
InChIKeyNRPSFPHWXHCRCR-UHFFFAOYSA-N
XLogP0.54
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.54
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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
CID 114181055
3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
CID 81174320
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 106016093
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
CID 114137508
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide (CID 106378118) is 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)CCCNC2CC2)o1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is NRPSFPHWXHCRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-7-13-11(17-9)8-14-18(15,16)6-2-5-12-10-3-4-10/h7,10,12,14H,2-6,8H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide?
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106378118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).