N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide

C17H25N3O3S — CID 59230270

IUPACN-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc3ocnc3c2)CC1
InChIInChI=1S/C17H25N3O3S/c1-12(2)24(21,22)20-14-5-3-13(4-6-14)10-18-15-7-8-17-16(9-15)19-11-23-17/h7-9,11-14,18,20H,3-6,10H2,1-2H3
InChIKeyIFQIULYNTSMPKT-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.13
Rot. Bonds6

About N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230270) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230270
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc3ocnc3c2)CC1
InChIInChI=1S/C17H25N3O3S/c1-12(2)24(21,22)20-14-5-3-13(4-6-14)10-18-15-7-8-17-16(9-15)19-11-23-17/h7-9,11-14,18,20H,3-6,10H2,1-2H3
InChIKeyIFQIULYNTSMPKT-UHFFFAOYSA-N
XLogP3.13
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230354
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939085
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376576
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
N-[4-[(4-butoxyanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939474
N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376558

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide (CID 59230270) is N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2ccc3ocnc3c2)CC1.
What is the InChIKey of N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is IFQIULYNTSMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12(2)24(21,22)20-14-5-3-13(4-6-14)10-18-15-7-8-17-16(9-15)19-11-23-17/h7-9,11-14,18,20H,3-6,10H2,1-2H3.
What are the key properties of N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59230270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).