N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide

C18H28N2O2S — CID 131963700

IUPACN-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC2CC3(CCC3)C2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14(2)20-23(21,22)13-16-6-4-15(5-7-16)12-19-17-10-18(11-17)8-3-9-18/h4-7,14,17,19-20H,3,8-13H2,1-2H3
InChIKeyMEGKNVQNAHJUBZ-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.94
Rot. Bonds7

About N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide

N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide (PubChem CID 131963700) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide
PubChem CID131963700
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC2CC3(CCC3)C2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14(2)20-23(21,22)13-16-6-4-15(5-7-16)12-19-17-10-18(11-17)8-3-9-18/h4-7,14,17,19-20H,3,8-13H2,1-2H3
InChIKeyMEGKNVQNAHJUBZ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
4-[(spiro[3.5]nonan-2-ylamino)methyl]benzoic acid
CID 122124229
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
1-[1-(4-chlorophenyl)cyclobutyl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 86888638
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
1-cyclopropyl-3-ethyl-2-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110987917
1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 86869252
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide (CID 131963700) is N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(CNC2CC3(CCC3)C2)cc1.
What is the InChIKey of N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is MEGKNVQNAHJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)20-23(21,22)13-16-6-4-15(5-7-16)12-19-17-10-18(11-17)8-3-9-18/h4-7,14,17,19-20H,3,8-13H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide?
N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 336.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 131963700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).