N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine

C22H27NO3S — CID 51964622

IUPACN-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(S(=O)(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1
InChIInChI=1S/C22H27NO3S/c1-17-2-8-21(9-3-17)27(24,25)22-10-4-18(5-11-22)14-23(20-6-7-20)15-19-12-13-26-16-19/h2-5,8-11,19-20H,6-7,12-16H2,1H3/t19-/m1/s1
InChIKeyKWOSWERKBMBQJO-LJQANCHMSA-N
MW385.53 g/mol
LogP3.83
Rot. Bonds7

About N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine

N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 51964622) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
PubChem CID51964622
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(S(=O)(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1
InChIInChI=1S/C22H27NO3S/c1-17-2-8-21(9-3-17)27(24,25)22-10-4-18(5-11-22)14-23(20-6-7-20)15-19-12-13-26-16-19/h2-5,8-11,19-20H,6-7,12-16H2,1H3/t19-/m1/s1
InChIKeyKWOSWERKBMBQJO-LJQANCHMSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
CID 159405748
2-[4-[[cyclopropyl(oxolan-3-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 87017036
N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 124758127
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 46962663
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
CID 112840908
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
CID 103438455
(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide
CID 97217858
4-ethylsulfonyl-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]aniline
CID 99790164

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (CID 51964622) is N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is Cc1ccc(S(=O)(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is KWOSWERKBMBQJO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-17-2-8-21(9-3-17)27(24,25)22-10-4-18(5-11-22)14-23(20-6-7-20)15-19-12-13-26-16-19/h2-5,8-11,19-20H,6-7,12-16H2,1H3/t19-/m1/s1.
What are the key properties of N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 385.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 51964622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).