cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine

C16H21N3OS — CID 124618678

IUPACcis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCc1csnn1
InChIInChI=1S/C16H21N3OS/c1-16(2)14(17-9-13-11-21-19-18-13)8-15(16)20-10-12-6-4-3-5-7-12/h3-7,11,14-15,17H,8-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyORNZMVKBRAKORP-CABCVRRESA-N
MW303.43 g/mol
LogP3.01
Rot. Bonds6

About cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine

cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 124618678) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID124618678
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCc1csnn1
InChIInChI=1S/C16H21N3OS/c1-16(2)14(17-9-13-11-21-19-18-13)8-15(16)20-10-12-6-4-3-5-7-12/h3-7,11,14-15,17H,8-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyORNZMVKBRAKORP-CABCVRRESA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
CID 130708786
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 146137042
2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
3-[(1S,3S)-2,2-dimethyl-3-phenylmethoxycyclobutyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 100661835
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
CID 114119978

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine (CID 124618678) is cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine is CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCc1csnn1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is ORNZMVKBRAKORP-CABCVRRESA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2)14(17-9-13-11-21-19-18-13)8-15(16)20-10-12-6-4-3-5-7-12/h3-7,11,14-15,17H,8-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine?
cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 124618678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).