N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide

C16H27N3O4S — CID 91769419

IUPACN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)cn1
InChIInChI=1S/C16H27N3O4S/c1-2-7-19-10-14(9-17-19)24(20,21)18-15-12-22-8-6-16(15)23-11-13-4-3-5-13/h9-10,13,15-16,18H,2-8,11-12H2,1H3/t15-,16+/m1/s1
InChIKeyMUDPMBLHIPZIRN-CVEARBPZSA-N
MW357.48 g/mol
LogP1.55
Rot. Bonds8

About N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 91769419) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID91769419
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)cn1
InChIInChI=1S/C16H27N3O4S/c1-2-7-19-10-14(9-17-19)24(20,21)18-15-12-22-8-6-16(15)23-11-13-4-3-5-13/h9-10,13,15-16,18H,2-8,11-12H2,1H3/t15-,16+/m1/s1
InChIKeyMUDPMBLHIPZIRN-CVEARBPZSA-N
XLogP1.55
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide (CID 91769419) is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)cn1.
What is the InChIKey of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is MUDPMBLHIPZIRN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-2-7-19-10-14(9-17-19)24(20,21)18-15-12-22-8-6-16(15)23-11-13-4-3-5-13/h9-10,13,15-16,18H,2-8,11-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide?
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 91769419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).